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

C13H11ClF2N2O2S — CID 82799121

IUPAC3-amino-4-chloro-N-(2,6-difluoro-3-methylphenyl)benzenesulfonamide
SMILESCc1ccc(F)c(NS(=O)(=O)c2ccc(Cl)c(N)c2)c1F
InChIInChI=1S/C13H11ClF2N2O2S/c1-7-2-5-10(15)13(12(7)16)18-21(19,20)8-3-4-9(14)11(17)6-8/h2-6,18H,17H2,1H3
InChIKeyNJQUGZZDLRSIHD-UHFFFAOYSA-N
MW332.76 g/mol
LogP3.31
Rot. Bonds3

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

3-amino-4-chloro-N-(2,6-difluoro-3-methylphenyl)benzenesulfonamide (PubChem CID 82799121) has the molecular formula C13H11ClF2N2O2S and a molecular weight of 332.76 g/mol. Its IUPAC name is 3-amino-4-chloro-N-(2,6-difluoro-3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-(2,6-difluoro-3-methylphenyl)benzenesulfonamide
PubChem CID82799121
Molecular FormulaC13H11ClF2N2O2S
Molecular Weight332.76 g/mol
Exact Mass332.02
IUPAC Name3-amino-4-chloro-N-(2,6-difluoro-3-methylphenyl)benzenesulfonamide
SMILESCc1ccc(F)c(NS(=O)(=O)c2ccc(Cl)c(N)c2)c1F
InChIInChI=1S/C13H11ClF2N2O2S/c1-7-2-5-10(15)13(12(7)16)18-21(19,20)8-3-4-9(14)11(17)6-8/h2-6,18H,17H2,1H3
InChIKeyNJQUGZZDLRSIHD-UHFFFAOYSA-N
XLogP3.31
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.76
LogP ≤ 53.31
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-4-chloro-N-(2,4,6-trichlorophenyl)benzenesulfonamide
CID 28992287
3-amino-N-(2-bromo-4,6-difluorophenyl)-4-chlorobenzenesulfonamide
CID 43347515
2-chloro-N-(2,6-difluoro-3-methylphenyl)pyridine-4-sulfonamide
CID 82819125
3-amino-4-chloro-N-(2,4,6-tribromophenyl)benzenesulfonamide
CID 43126278
3-amino-4-chloro-N-(2,6-dibromophenyl)benzenesulfonamide
CID 107596352
3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzenesulfonamide
CID 28967482
3-amino-4-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 29298458
N-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide
CID 43167027
3-amino-4-chloro-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 55201502
3-amino-4-chloro-N-phenylbenzenesulfonamide
CID 2873180
N-(2-amino-6-fluorophenyl)-4-chlorobenzenesulfonamide
CID 81311013
3-amino-N-(3-bromo-4-fluorophenyl)-4-methylbenzenesulfonamide
CID 104775518

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-(2,6-difluoro-3-methylphenyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-chloro-N-(2,6-difluoro-3-methylphenyl)benzenesulfonamide (CID 82799121) is 3-amino-4-chloro-N-(2,6-difluoro-3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-chloro-N-(2,6-difluoro-3-methylphenyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-chloro-N-(2,6-difluoro-3-methylphenyl)benzenesulfonamide is Cc1ccc(F)c(NS(=O)(=O)c2ccc(Cl)c(N)c2)c1F.
What is the InChIKey of 3-amino-4-chloro-N-(2,6-difluoro-3-methylphenyl)benzenesulfonamide?
The InChIKey is NJQUGZZDLRSIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2O2S/c1-7-2-5-10(15)13(12(7)16)18-21(19,20)8-3-4-9(14)11(17)6-8/h2-6,18H,17H2,1H3.
What are the key properties of 3-amino-4-chloro-N-(2,6-difluoro-3-methylphenyl)benzenesulfonamide?
3-amino-4-chloro-N-(2,6-difluoro-3-methylphenyl)benzenesulfonamide has a molecular weight of 332.76 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-(2,6-difluoro-3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 82799121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).