6OT

3,5-dichlorobenzene-1-sulfonamide

Created:	2016-05-16
Last modified:	2017-04-05

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3 entries where 6OT is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	17
Chiral Atom Count	0
Bond Count	17
Aromatic Bond Count	6

2D diagram of 6OT

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Chemical Component Summary
Name	3,5-dichlorobenzene-1-sulfonamide
Systematic Name (OpenEye OEToolkits)	3,5-bis(chloranyl)benzenesulfonamide
Formula	C₆ H₅ Cl₂ N O₂ S
Molecular Weight	226.08
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	NS(c1cc(cc(c1)Cl)Cl)(=O)=O
SMILES	CACTVS	3.385	N[S](=O)(=O)c1cc(Cl)cc(Cl)c1
SMILES	OpenEye OEToolkits	2.0.4	c1c(cc(cc1Cl)Cl)S(=O)(=O)N
Canonical SMILES	CACTVS	3.385	N[S](=O)(=O)c1cc(Cl)cc(Cl)c1
Canonical SMILES	OpenEye OEToolkits	2.0.4	c1c(cc(cc1Cl)Cl)S(=O)(=O)N
InChI	InChI	1.03	InChI=1S/C6H5Cl2NO2S/c7-4-1-5(8)3-6(2-4)12(9,10)11/h1-3H,(H2,9,10,11)
InChIKey	InChI	1.03	AHNOVNYOUPQVRX-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	705607
ChEMBL	CHEMBL3988825

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.