4-amino-3-chloro-N-(3-chloro-2-fluorophenyl)benzenesulfonamide

C12H9Cl2FN2O2S — CID 115329618

IUPAC4-amino-3-chloro-N-(3-chloro-2-fluorophenyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2cccc(Cl)c2F)cc1Cl
InChIInChI=1S/C12H9Cl2FN2O2S/c13-8-2-1-3-11(12(8)15)17-20(18,19)7-4-5-10(16)9(14)6-7/h1-6,17H,16H2
InChIKeyPUTCKPWIIPXEPX-UHFFFAOYSA-N
MW335.19 g/mol
LogP3.52
Rot. Bonds3

About 4-amino-3-chloro-N-(3-chloro-2-fluorophenyl)benzenesulfonamide

4-amino-3-chloro-N-(3-chloro-2-fluorophenyl)benzenesulfonamide (PubChem CID 115329618) has the molecular formula C12H9Cl2FN2O2S and a molecular weight of 335.19 g/mol. Its IUPAC name is 4-amino-3-chloro-N-(3-chloro-2-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-chloro-N-(3-chloro-2-fluorophenyl)benzenesulfonamide
PubChem CID115329618
Molecular FormulaC12H9Cl2FN2O2S
Molecular Weight335.19 g/mol
Exact Mass333.97
IUPAC Name4-amino-3-chloro-N-(3-chloro-2-fluorophenyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2cccc(Cl)c2F)cc1Cl
InChIInChI=1S/C12H9Cl2FN2O2S/c13-8-2-1-3-11(12(8)15)17-20(18,19)7-4-5-10(16)9(14)6-7/h1-6,17H,16H2
InChIKeyPUTCKPWIIPXEPX-UHFFFAOYSA-N
XLogP3.52
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 115329584
4-amino-N-(2-bromo-3-chlorophenyl)-3-methylbenzenesulfonamide
CID 103477272
N-(3-chloro-2-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 43507543
N-(3-chloro-2-fluorophenyl)-6-hydrazinylpyridine-3-sulfonamide
CID 28969387
N-(2-amino-5-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide
CID 63257691
5-chloro-N-(3-chloro-2-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 64608883
2-chloro-4-[(3-chloro-2-fluorophenyl)methylsulfonyl]aniline
CID 102864660
3-amino-N-(3-chloro-2-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 79885971
N-(5-amino-2-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide
CID 43604966
N-(3-chloro-2-methylphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 1256135
5-[(3-chloro-2-fluorophenyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614097
N-(2-amino-5-chlorophenyl)-3,4-difluorobenzenesulfonamide
CID 43343902

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-N-(3-chloro-2-fluorophenyl)benzenesulfonamide?
The IUPAC name of 4-amino-3-chloro-N-(3-chloro-2-fluorophenyl)benzenesulfonamide (CID 115329618) is 4-amino-3-chloro-N-(3-chloro-2-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-chloro-N-(3-chloro-2-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-chloro-N-(3-chloro-2-fluorophenyl)benzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2F)cc1Cl.
What is the InChIKey of 4-amino-3-chloro-N-(3-chloro-2-fluorophenyl)benzenesulfonamide?
The InChIKey is PUTCKPWIIPXEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2FN2O2S/c13-8-2-1-3-11(12(8)15)17-20(18,19)7-4-5-10(16)9(14)6-7/h1-6,17H,16H2.
What are the key properties of 4-amino-3-chloro-N-(3-chloro-2-fluorophenyl)benzenesulfonamide?
4-amino-3-chloro-N-(3-chloro-2-fluorophenyl)benzenesulfonamide has a molecular weight of 335.19 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-N-(3-chloro-2-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 115329618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).