3-amino-N-(3-chloro-4-methylphenyl)-4-fluorobenzenesulfonamide

C13H12ClFN2O2S — CID 28527841

IUPAC3-amino-N-(3-chloro-4-methylphenyl)-4-fluorobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(F)c(N)c2)cc1Cl
InChIInChI=1S/C13H12ClFN2O2S/c1-8-2-3-9(6-11(8)14)17-20(18,19)10-4-5-12(15)13(16)7-10/h2-7,17H,16H2,1H3
InChIKeyCWLWPYLLRAPDQF-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.17
Rot. Bonds3

About 3-amino-N-(3-chloro-4-methylphenyl)-4-fluorobenzenesulfonamide

3-amino-N-(3-chloro-4-methylphenyl)-4-fluorobenzenesulfonamide (PubChem CID 28527841) has the molecular formula C13H12ClFN2O2S and a molecular weight of 314.77 g/mol. Its IUPAC name is 3-amino-N-(3-chloro-4-methylphenyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(3-chloro-4-methylphenyl)-4-fluorobenzenesulfonamide
PubChem CID28527841
Molecular FormulaC13H12ClFN2O2S
Molecular Weight314.77 g/mol
Exact Mass314.03
IUPAC Name3-amino-N-(3-chloro-4-methylphenyl)-4-fluorobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(F)c(N)c2)cc1Cl
InChIInChI=1S/C13H12ClFN2O2S/c1-8-2-3-9(6-11(8)14)17-20(18,19)10-4-5-12(15)13(16)7-10/h2-7,17H,16H2,1H3
InChIKeyCWLWPYLLRAPDQF-UHFFFAOYSA-N
XLogP3.17
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.17
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

Benzenesulfonamide, 5-amino-2-chloro-N-(2,4-dimethylphenyl)-
CID 117071
Benzenesulfonamide, N-(4-chlorophenyl)-4-methyl-
CID 76182
4-Chloro-4'-ethylbenzenesulfonanilide
CID 710437
N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 246655
N-(2-Chlorophenyl)-4-methylbenzenesulfonamide
CID 80791
Benzenesulfonamide, N-(4-chloro-3-(trifluoromethyl)phenyl)-4-fluoro-
CID 73141
4-chloro-N-(3-chloro-4-methylphenyl)benzenesulfonamide
CID 295196
3-chloro-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 84482101
4-chloro-N-(2-methylphenyl)benzenesulfonamide
CID 722856
N-(3-chloro-4-methylphenyl)-1-phenylmethanesulfonamide
CID 669258
N-(2-amino-4-methylphenyl)-4-chlorobenzene-1-sulfonamide
CID 2796853
3-chloro-N-(4-methylphenyl)benzenesulfonamide
CID 889300

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-chloro-4-methylphenyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 3-amino-N-(3-chloro-4-methylphenyl)-4-fluorobenzenesulfonamide (CID 28527841) is 3-amino-N-(3-chloro-4-methylphenyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(3-chloro-4-methylphenyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-amino-N-(3-chloro-4-methylphenyl)-4-fluorobenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(F)c(N)c2)cc1Cl.
What is the InChIKey of 3-amino-N-(3-chloro-4-methylphenyl)-4-fluorobenzenesulfonamide?
The InChIKey is CWLWPYLLRAPDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O2S/c1-8-2-3-9(6-11(8)14)17-20(18,19)10-4-5-12(15)13(16)7-10/h2-7,17H,16H2,1H3.
What are the key properties of 3-amino-N-(3-chloro-4-methylphenyl)-4-fluorobenzenesulfonamide?
3-amino-N-(3-chloro-4-methylphenyl)-4-fluorobenzenesulfonamide has a molecular weight of 314.77 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-chloro-4-methylphenyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 28527841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).