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

C13H11ClF2N2O2S — CID 60985629

IUPAC4-amino-N-(3-chloro-4-methylphenyl)-2,6-difluorobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(F)cc(N)cc2F)cc1Cl
InChIInChI=1S/C13H11ClF2N2O2S/c1-7-2-3-9(6-10(7)14)18-21(19,20)13-11(15)4-8(17)5-12(13)16/h2-6,18H,17H2,1H3
InChIKeyUWNPQNMQBDRKFW-UHFFFAOYSA-N
MW332.76 g/mol
LogP3.31
Rot. Bonds3

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

4-amino-N-(3-chloro-4-methylphenyl)-2,6-difluorobenzenesulfonamide (PubChem CID 60985629) has the molecular formula C13H11ClF2N2O2S and a molecular weight of 332.76 g/mol. Its IUPAC name is 4-amino-N-(3-chloro-4-methylphenyl)-2,6-difluorobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(3-chloro-4-methylphenyl)-2,6-difluorobenzenesulfonamide
PubChem CID60985629
Molecular FormulaC13H11ClF2N2O2S
Molecular Weight332.76 g/mol
Exact Mass332.02
IUPAC Name4-amino-N-(3-chloro-4-methylphenyl)-2,6-difluorobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(F)cc(N)cc2F)cc1Cl
InChIInChI=1S/C13H11ClF2N2O2S/c1-7-2-3-9(6-10(7)14)18-21(19,20)13-11(15)4-8(17)5-12(13)16/h2-6,18H,17H2,1H3
InChIKeyUWNPQNMQBDRKFW-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

N-(3-chloro-4-methylphenyl)-2,6-difluorobenzenesulfonamide
CID 3844257
5-amino-3-chloro-N-(3-chloro-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 43258123
3-amino-N-(3-chloro-4-fluorophenyl)-2,6-dimethylbenzenesulfonamide
CID 43258685
2-amino-N-(4-chloro-3-fluorophenyl)-3,6-dimethylbenzenesulfonamide
CID 103171347
4-amino-N-(4-fluoro-3-methylphenyl)-2,6-dimethylbenzenesulfonamide
CID 79569216
N-(3-chloro-4-methylphenyl)-2,5-difluorobenzenesulfonamide
CID 9234950
2-amino-6-chloro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62810748
5-amino-N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80629247
4-amino-2,6-difluoro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 60984738
3-amino-N-(3-fluoro-4-methylphenyl)-2,6-dimethylbenzenesulfonamide
CID 43257764
4-amino-N-(3,4-dimethylphenyl)-2,6-dimethylbenzenesulfonamide
CID 79557755
5-amino-N-(3,4-dichlorophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80629046

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-chloro-4-methylphenyl)-2,6-difluorobenzenesulfonamide?
The IUPAC name of 4-amino-N-(3-chloro-4-methylphenyl)-2,6-difluorobenzenesulfonamide (CID 60985629) is 4-amino-N-(3-chloro-4-methylphenyl)-2,6-difluorobenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(3-chloro-4-methylphenyl)-2,6-difluorobenzenesulfonamide?
The canonical SMILES for 4-amino-N-(3-chloro-4-methylphenyl)-2,6-difluorobenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2c(F)cc(N)cc2F)cc1Cl.
What is the InChIKey of 4-amino-N-(3-chloro-4-methylphenyl)-2,6-difluorobenzenesulfonamide?
The InChIKey is UWNPQNMQBDRKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2O2S/c1-7-2-3-9(6-10(7)14)18-21(19,20)13-11(15)4-8(17)5-12(13)16/h2-6,18H,17H2,1H3.
What are the key properties of 4-amino-N-(3-chloro-4-methylphenyl)-2,6-difluorobenzenesulfonamide?
4-amino-N-(3-chloro-4-methylphenyl)-2,6-difluorobenzenesulfonamide 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 4-amino-N-(3-chloro-4-methylphenyl)-2,6-difluorobenzenesulfonamide is sourced from PubChem (CID 60985629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).