2-amino-6-chloro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide

C13H12ClFN2O2S — CID 62810748

IUPAC2-amino-6-chloro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2c(N)cccc2Cl)ccc1F
InChIInChI=1S/C13H12ClFN2O2S/c1-8-7-9(5-6-11(8)15)17-20(18,19)13-10(14)3-2-4-12(13)16/h2-7,17H,16H2,1H3
InChIKeyGXHQXKVXMLNIIY-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.17
Rot. Bonds3

About 2-amino-6-chloro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide

2-amino-6-chloro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide (PubChem CID 62810748) has the molecular formula C13H12ClFN2O2S and a molecular weight of 314.77 g/mol. Its IUPAC name is 2-amino-6-chloro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
PubChem CID62810748
Molecular FormulaC13H12ClFN2O2S
Molecular Weight314.77 g/mol
Exact Mass314.03
IUPAC Name2-amino-6-chloro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2c(N)cccc2Cl)ccc1F
InChIInChI=1S/C13H12ClFN2O2S/c1-8-7-9(5-6-11(8)15)17-20(18,19)13-10(14)3-2-4-12(13)16/h2-7,17H,16H2,1H3
InChIKeyGXHQXKVXMLNIIY-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

4-amino-N-(4-fluoro-3-methylphenyl)-2,6-dimethylbenzenesulfonamide
CID 79569216
2-amino-6-chloro-N-(4-chloro-3-methoxyphenyl)benzenesulfonamide
CID 107620731
3-amino-5-chloro-N-(4-fluoro-3-methylphenyl)-2-methylbenzenesulfonamide
CID 114379533
2-amino-4,6-dichloro-N-(3,4-dimethylphenyl)benzenesulfonamide
CID 43255926
4-amino-N-(3-chloro-4-methylphenyl)-2,6-difluorobenzenesulfonamide
CID 60985629
3-amino-N-(3-chloro-4-fluorophenyl)-2,6-dimethylbenzenesulfonamide
CID 43258685
N-(3-chloro-4-methylphenyl)-2,6-difluorobenzenesulfonamide
CID 3844257
2-amino-N-(4-fluoro-3-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 62809296
2-amino-N-(3-fluoro-4-methoxyphenyl)-6-methylbenzenesulfonamide
CID 43452572
3-amino-N-(4-fluoro-3-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 62809980
2-amino-5-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62811281
N-(3,4-dimethylphenyl)-2,6-difluorobenzenesulfonamide
CID 4793269

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide?
The IUPAC name of 2-amino-6-chloro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide (CID 62810748) is 2-amino-6-chloro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-6-chloro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide?
The canonical SMILES for 2-amino-6-chloro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2c(N)cccc2Cl)ccc1F.
What is the InChIKey of 2-amino-6-chloro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide?
The InChIKey is GXHQXKVXMLNIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O2S/c1-8-7-9(5-6-11(8)15)17-20(18,19)13-10(14)3-2-4-12(13)16/h2-7,17H,16H2,1H3.
What are the key properties of 2-amino-6-chloro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide?
2-amino-6-chloro-N-(4-fluoro-3-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 2-amino-6-chloro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 62810748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).