4-amino-2-chloro-N-(2,5-difluoro-4-methylphenyl)benzenesulfonamide

C13H11ClF2N2O2S — CID 103584428

IUPAC4-amino-2-chloro-N-(2,5-difluoro-4-methylphenyl)benzenesulfonamide
SMILESCc1cc(F)c(NS(=O)(=O)c2ccc(N)cc2Cl)cc1F
InChIInChI=1S/C13H11ClF2N2O2S/c1-7-4-11(16)12(6-10(7)15)18-21(19,20)13-3-2-8(17)5-9(13)14/h2-6,18H,17H2,1H3
InChIKeyMQYYAMXFFPASPR-UHFFFAOYSA-N
MW332.76 g/mol
LogP3.31
Rot. Bonds3

About 4-amino-2-chloro-N-(2,5-difluoro-4-methylphenyl)benzenesulfonamide

4-amino-2-chloro-N-(2,5-difluoro-4-methylphenyl)benzenesulfonamide (PubChem CID 103584428) has the molecular formula C13H11ClF2N2O2S and a molecular weight of 332.76 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(2,5-difluoro-4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-(2,5-difluoro-4-methylphenyl)benzenesulfonamide
PubChem CID103584428
Molecular FormulaC13H11ClF2N2O2S
Molecular Weight332.76 g/mol
Exact Mass332.02
IUPAC Name4-amino-2-chloro-N-(2,5-difluoro-4-methylphenyl)benzenesulfonamide
SMILESCc1cc(F)c(NS(=O)(=O)c2ccc(N)cc2Cl)cc1F
InChIInChI=1S/C13H11ClF2N2O2S/c1-7-4-11(16)12(6-10(7)15)18-21(19,20)13-3-2-8(17)5-9(13)14/h2-6,18H,17H2,1H3
InChIKeyMQYYAMXFFPASPR-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-2-chloro-N-(2,5-difluoro-4-methylphenyl)benzenesulfonamide
CID 103584427
N-(5-amino-2-fluorophenyl)-4-chloro-2-methylbenzenesulfonamide
CID 43604953
N-(5-amino-2-fluorophenyl)-5-chloro-2-methylbenzenesulfonamide
CID 43604944
4-bromo-N-(2,5-difluoro-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 103587129
2-chloro-N-(2-fluoro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 32673947
4-amino-2-chloro-N-(2,6-dichlorophenyl)benzenesulfonamide
CID 65470012
2-amino-N-(2,5-difluoro-4-methylphenyl)pyridine-3-sulfonamide
CID 103584410
4-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-chlorobenzenesulfonamide
CID 107608927
N-(5-amino-2-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399424
N-(5-amino-2-fluorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43344317
5-amino-2-chloro-N-(2,5-difluorophenyl)benzenesulfonamide
CID 29275941
3-bromo-4-chloro-N-(2,5-difluoro-4-methylphenyl)benzenesulfonamide
CID 106612798

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(2,5-difluoro-4-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-amino-2-chloro-N-(2,5-difluoro-4-methylphenyl)benzenesulfonamide (CID 103584428) is 4-amino-2-chloro-N-(2,5-difluoro-4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-chloro-N-(2,5-difluoro-4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-chloro-N-(2,5-difluoro-4-methylphenyl)benzenesulfonamide is Cc1cc(F)c(NS(=O)(=O)c2ccc(N)cc2Cl)cc1F.
What is the InChIKey of 4-amino-2-chloro-N-(2,5-difluoro-4-methylphenyl)benzenesulfonamide?
The InChIKey is MQYYAMXFFPASPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2O2S/c1-7-4-11(16)12(6-10(7)15)18-21(19,20)13-3-2-8(17)5-9(13)14/h2-6,18H,17H2,1H3.
What are the key properties of 4-amino-2-chloro-N-(2,5-difluoro-4-methylphenyl)benzenesulfonamide?
4-amino-2-chloro-N-(2,5-difluoro-4-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 4-amino-2-chloro-N-(2,5-difluoro-4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 103584428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).