3-amino-5-chloro-2-fluoro-N-(4-methylphenyl)benzenesulfonamide

C13H12ClFN2O2S — CID 103050231

IUPAC3-amino-5-chloro-2-fluoro-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(Cl)cc(N)c2F)cc1
InChIInChI=1S/C13H12ClFN2O2S/c1-8-2-4-10(5-3-8)17-20(18,19)12-7-9(14)6-11(16)13(12)15/h2-7,17H,16H2,1H3
InChIKeyQBJPFJIJMODAHX-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.17
Rot. Bonds3

About 3-amino-5-chloro-2-fluoro-N-(4-methylphenyl)benzenesulfonamide

3-amino-5-chloro-2-fluoro-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 103050231) has the molecular formula C13H12ClFN2O2S and a molecular weight of 314.77 g/mol. Its IUPAC name is 3-amino-5-chloro-2-fluoro-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-2-fluoro-N-(4-methylphenyl)benzenesulfonamide
PubChem CID103050231
Molecular FormulaC13H12ClFN2O2S
Molecular Weight314.77 g/mol
Exact Mass314.03
IUPAC Name3-amino-5-chloro-2-fluoro-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(Cl)cc(N)c2F)cc1
InChIInChI=1S/C13H12ClFN2O2S/c1-8-2-4-10(5-3-8)17-20(18,19)12-7-9(14)6-11(16)13(12)15/h2-7,17H,16H2,1H3
InChIKeyQBJPFJIJMODAHX-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

3-amino-5-chloro-2-fluoro-N-(2-methylphenyl)benzenesulfonamide
CID 103050305
3-amino-5-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-fluorobenzenesulfonamide
CID 103050411
3-amino-5-chloro-2-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 103050184
3-amino-5-chloro-N-(3-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 103050336
3-amino-5-chloro-N-(4-chloro-2-iodophenyl)-2-fluorobenzenesulfonamide
CID 107624597
3-amino-5-chloro-N-(4-fluoro-3-methylphenyl)-2-methylbenzenesulfonamide
CID 114379533
3-amino-5-chloro-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
CID 114379875
3-amino-5-chloro-2-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 103050320
3-amino-2-bromo-5-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 62955301
3-amino-5-chloro-N-(3-chloro-5-fluorophenyl)-2-methylbenzenesulfonamide
CID 107363523
3-amino-5-chloro-N-(6-chloro-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 103051902
3-amino-5-chloro-2-fluoro-N-pyridin-2-ylbenzenesulfonamide
CID 103050176

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-2-fluoro-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-2-fluoro-N-(4-methylphenyl)benzenesulfonamide (CID 103050231) is 3-amino-5-chloro-2-fluoro-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-2-fluoro-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-2-fluoro-N-(4-methylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2cc(Cl)cc(N)c2F)cc1.
What is the InChIKey of 3-amino-5-chloro-2-fluoro-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is QBJPFJIJMODAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O2S/c1-8-2-4-10(5-3-8)17-20(18,19)12-7-9(14)6-11(16)13(12)15/h2-7,17H,16H2,1H3.
What are the key properties of 3-amino-5-chloro-2-fluoro-N-(4-methylphenyl)benzenesulfonamide?
3-amino-5-chloro-2-fluoro-N-(4-methylphenyl)benzenesulfonamide 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-5-chloro-2-fluoro-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 103050231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).