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

C13H11ClF2N2O2S — CID 29053717

IUPAC3-amino-5-chloro-N-(3,5-difluorophenyl)-4-methylbenzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)Nc2cc(F)cc(F)c2)cc1Cl
InChIInChI=1S/C13H11ClF2N2O2S/c1-7-12(14)5-11(6-13(7)17)21(19,20)18-10-3-8(15)2-9(16)4-10/h2-6,18H,17H2,1H3
InChIKeyVDWVHAMCWGIVQQ-UHFFFAOYSA-N
MW332.76 g/mol
LogP3.31
Rot. Bonds3

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

3-amino-5-chloro-N-(3,5-difluorophenyl)-4-methylbenzenesulfonamide (PubChem CID 29053717) has the molecular formula C13H11ClF2N2O2S and a molecular weight of 332.76 g/mol. Its IUPAC name is 3-amino-5-chloro-N-(3,5-difluorophenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-N-(3,5-difluorophenyl)-4-methylbenzenesulfonamide
PubChem CID29053717
Molecular FormulaC13H11ClF2N2O2S
Molecular Weight332.76 g/mol
Exact Mass332.02
IUPAC Name3-amino-5-chloro-N-(3,5-difluorophenyl)-4-methylbenzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)Nc2cc(F)cc(F)c2)cc1Cl
InChIInChI=1S/C13H11ClF2N2O2S/c1-7-12(14)5-11(6-13(7)17)21(19,20)18-10-3-8(15)2-9(16)4-10/h2-6,18H,17H2,1H3
InChIKeyVDWVHAMCWGIVQQ-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'}

Analyze 3-amino-5-chloro-N-(3,5-difluorophenyl)-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 246655
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
N-(3-chloro-4-fluorophenyl)-4-fluoro-3,5-dimethylbenzenesulfonamide
CID 2805068
N-(3,5-dichlorophenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 44586463
N-(3-chloro-2-cyanophenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 125467696
3-amino-N-(4-chlorophenyl)-4-methylbenzene-1-sulfonamide
CID 3732253

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-N-(3,5-difluorophenyl)-4-methylbenzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-N-(3,5-difluorophenyl)-4-methylbenzenesulfonamide (CID 29053717) is 3-amino-5-chloro-N-(3,5-difluorophenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-N-(3,5-difluorophenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-N-(3,5-difluorophenyl)-4-methylbenzenesulfonamide is Cc1c(N)cc(S(=O)(=O)Nc2cc(F)cc(F)c2)cc1Cl.
What is the InChIKey of 3-amino-5-chloro-N-(3,5-difluorophenyl)-4-methylbenzenesulfonamide?
The InChIKey is VDWVHAMCWGIVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2O2S/c1-7-12(14)5-11(6-13(7)17)21(19,20)18-10-3-8(15)2-9(16)4-10/h2-6,18H,17H2,1H3.
What are the key properties of 3-amino-5-chloro-N-(3,5-difluorophenyl)-4-methylbenzenesulfonamide?
3-amino-5-chloro-N-(3,5-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-(3,5-difluorophenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 29053717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).