5-amino-N-(2-chloro-5-methylphenyl)-2,3-difluorobenzenesulfonamide

C13H11ClF2N2O2S — CID 107624495

IUPAC5-amino-N-(2-chloro-5-methylphenyl)-2,3-difluorobenzenesulfonamide
SMILESCc1ccc(Cl)c(NS(=O)(=O)c2cc(N)cc(F)c2F)c1
InChIInChI=1S/C13H11ClF2N2O2S/c1-7-2-3-9(14)11(4-7)18-21(19,20)12-6-8(17)5-10(15)13(12)16/h2-6,18H,17H2,1H3
InChIKeyRNKOKUKHXIJRNX-UHFFFAOYSA-N
MW332.76 g/mol
LogP3.31
Rot. Bonds3

About 5-amino-N-(2-chloro-5-methylphenyl)-2,3-difluorobenzenesulfonamide

5-amino-N-(2-chloro-5-methylphenyl)-2,3-difluorobenzenesulfonamide (PubChem CID 107624495) has the molecular formula C13H11ClF2N2O2S and a molecular weight of 332.76 g/mol. Its IUPAC name is 5-amino-N-(2-chloro-5-methylphenyl)-2,3-difluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-chloro-5-methylphenyl)-2,3-difluorobenzenesulfonamide
PubChem CID107624495
Molecular FormulaC13H11ClF2N2O2S
Molecular Weight332.76 g/mol
Exact Mass332.02
IUPAC Name5-amino-N-(2-chloro-5-methylphenyl)-2,3-difluorobenzenesulfonamide
SMILESCc1ccc(Cl)c(NS(=O)(=O)c2cc(N)cc(F)c2F)c1
InChIInChI=1S/C13H11ClF2N2O2S/c1-7-2-3-9(14)11(4-7)18-21(19,20)12-6-8(17)5-10(15)13(12)16/h2-6,18H,17H2,1H3
InChIKeyRNKOKUKHXIJRNX-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

5-amino-N-(2,5-dichlorophenyl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898634
5-amino-N-(2-bromo-5-methylphenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 82744627
4-amino-2,6-dibromo-N-(2-chloro-5-methylphenyl)benzenesulfonamide
CID 107624523
5-amino-N-(2-bromophenyl)-2,3-difluorobenzenesulfonamide
CID 65023507
5-amino-2-chloro-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 28528922
3-amino-N-(2-chloro-5-methylphenyl)-4-fluoro-5-methylbenzenesulfonamide
CID 107624529
5-amino-N-(3-chloro-2-fluorophenyl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898910
4-amino-N-(2-chloro-5-methylphenyl)-2-methoxybenzenesulfonamide
CID 107624522
5-amino-N-(2-bromo-5-methylphenyl)-2-chloro-4-fluorobenzenesulfonamide
CID 82744624
3-amino-N-(2,5-dichlorophenyl)-2,4-difluorobenzenesulfonamide
CID 107343077
4-amino-2-bromo-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 43256663
2-amino-5-bromo-N-(2-chloro-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 106491352

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-chloro-5-methylphenyl)-2,3-difluorobenzenesulfonamide?
The IUPAC name of 5-amino-N-(2-chloro-5-methylphenyl)-2,3-difluorobenzenesulfonamide (CID 107624495) is 5-amino-N-(2-chloro-5-methylphenyl)-2,3-difluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(2-chloro-5-methylphenyl)-2,3-difluorobenzenesulfonamide?
The canonical SMILES for 5-amino-N-(2-chloro-5-methylphenyl)-2,3-difluorobenzenesulfonamide is Cc1ccc(Cl)c(NS(=O)(=O)c2cc(N)cc(F)c2F)c1.
What is the InChIKey of 5-amino-N-(2-chloro-5-methylphenyl)-2,3-difluorobenzenesulfonamide?
The InChIKey is RNKOKUKHXIJRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2O2S/c1-7-2-3-9(14)11(4-7)18-21(19,20)12-6-8(17)5-10(15)13(12)16/h2-6,18H,17H2,1H3.
What are the key properties of 5-amino-N-(2-chloro-5-methylphenyl)-2,3-difluorobenzenesulfonamide?
5-amino-N-(2-chloro-5-methylphenyl)-2,3-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 5-amino-N-(2-chloro-5-methylphenyl)-2,3-difluorobenzenesulfonamide is sourced from PubChem (CID 107624495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).