3-amino-5-chloro-N-(2,4-difluorophenyl)-4-methylbenzenesulfonamide

C13H11ClF2N2O2S — CID 28526074

IUPAC3-amino-5-chloro-N-(2,4-difluorophenyl)-4-methylbenzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)Nc2ccc(F)cc2F)cc1Cl
InChIInChI=1S/C13H11ClF2N2O2S/c1-7-10(14)5-9(6-12(7)17)21(19,20)18-13-3-2-8(15)4-11(13)16/h2-6,18H,17H2,1H3
InChIKeyUCVJWSOHYBXNQG-UHFFFAOYSA-N
MW332.76 g/mol
LogP3.31
Rot. Bonds3

About 3-amino-5-chloro-N-(2,4-difluorophenyl)-4-methylbenzenesulfonamide

3-amino-5-chloro-N-(2,4-difluorophenyl)-4-methylbenzenesulfonamide (PubChem CID 28526074) has the molecular formula C13H11ClF2N2O2S and a molecular weight of 332.76 g/mol. Its IUPAC name is 3-amino-5-chloro-N-(2,4-difluorophenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-N-(2,4-difluorophenyl)-4-methylbenzenesulfonamide
PubChem CID28526074
Molecular FormulaC13H11ClF2N2O2S
Molecular Weight332.76 g/mol
Exact Mass332.02
IUPAC Name3-amino-5-chloro-N-(2,4-difluorophenyl)-4-methylbenzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)Nc2ccc(F)cc2F)cc1Cl
InChIInChI=1S/C13H11ClF2N2O2S/c1-7-10(14)5-9(6-12(7)17)21(19,20)18-13-3-2-8(15)4-11(13)16/h2-6,18H,17H2,1H3
InChIKeyUCVJWSOHYBXNQG-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

Benzenesulfonamide, N-(4-chlorophenyl)-4-methyl-
CID 76182
N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 246655
N-(2-Chlorophenyl)-4-methylbenzenesulfonamide
CID 80791
4-chloro-N-(2-methylphenyl)benzenesulfonamide
CID 722856
3-chloro-N-(4-methylphenyl)benzenesulfonamide
CID 889300
3',4-Dichloro-2'-methylbenzenesulfonanilide
CID 295195
2,5-dichloro-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 986647
3-amino-4-chloro-N-(3-chloro-4-methylphenyl)benzene-1-sulfonamide
CID 3843782
Benzenesulfonic acid, 3-amino-5-chloro-4-methyl-
CID 80806
N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 241733
N-(3-chloro-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 295160
3-chloro-4-fluoro-N-(m-tolyl)benzenesulfonamide
CID 890373

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-N-(2,4-difluorophenyl)-4-methylbenzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-N-(2,4-difluorophenyl)-4-methylbenzenesulfonamide (CID 28526074) is 3-amino-5-chloro-N-(2,4-difluorophenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-N-(2,4-difluorophenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-N-(2,4-difluorophenyl)-4-methylbenzenesulfonamide is Cc1c(N)cc(S(=O)(=O)Nc2ccc(F)cc2F)cc1Cl.
What is the InChIKey of 3-amino-5-chloro-N-(2,4-difluorophenyl)-4-methylbenzenesulfonamide?
The InChIKey is UCVJWSOHYBXNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2O2S/c1-7-10(14)5-9(6-12(7)17)21(19,20)18-13-3-2-8(15)4-11(13)16/h2-6,18H,17H2,1H3.
What are the key properties of 3-amino-5-chloro-N-(2,4-difluorophenyl)-4-methylbenzenesulfonamide?
3-amino-5-chloro-N-(2,4-difluorophenyl)-4-methylbenzenesulfonamide 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-5-chloro-N-(2,4-difluorophenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 28526074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).