A1AW1

2-chloro-4-(trifluoromethyl)benzene-1-sulfonamide

Created:	2024-07-10
Last modified:	2025-03-26

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1 entries where A1AW1 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	6

2D diagram of A1AW1

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Chemical Component Summary
Name	2-chloro-4-(trifluoromethyl)benzene-1-sulfonamide
Systematic Name (OpenEye OEToolkits)	2-chloranyl-4-(trifluoromethyl)benzenesulfonamide
Formula	C₇ H₅ Cl F₃ N O₂ S
Molecular Weight	259.633
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(N)(=O)c1ccc(cc1Cl)C(F)(F)F
SMILES	CACTVS	3.385	N[S](=O)(=O)c1ccc(cc1Cl)C(F)(F)F
SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1C(F)(F)F)Cl)S(=O)(=O)N
Canonical SMILES	CACTVS	3.385	N[S](=O)(=O)c1ccc(cc1Cl)C(F)(F)F
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1C(F)(F)F)Cl)S(=O)(=O)N
InChI	InChI	1.06	InChI=1S/C7H5ClF3NO2S/c8-5-3-4(7(9,10)11)1-2-6(5)15(12,13)14/h1-3H,(H2,12,13,14)
InChIKey	InChI	1.06	ZKBZHFCXIXOBTJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2773925
ChEBI	CHEBI:194684

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