4-chloro-3-[(2,4-difluorophenyl)methylamino]benzenesulfonamide

C13H11ClF2N2O2S — CID 43745797

IUPAC4-chloro-3-[(2,4-difluorophenyl)methylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Cl)c(NCc2ccc(F)cc2F)c1
InChIInChI=1S/C13H11ClF2N2O2S/c14-11-4-3-10(21(17,19)20)6-13(11)18-7-8-1-2-9(15)5-12(8)16/h1-6,18H,7H2,(H2,17,19,20)
InChIKeyQVQIHBMMLBWSCW-UHFFFAOYSA-N
MW332.76 g/mol
LogP2.88
Rot. Bonds4

About 4-chloro-3-[(2,4-difluorophenyl)methylamino]benzenesulfonamide

4-chloro-3-[(2,4-difluorophenyl)methylamino]benzenesulfonamide (PubChem CID 43745797) has the molecular formula C13H11ClF2N2O2S and a molecular weight of 332.76 g/mol. Its IUPAC name is 4-chloro-3-[(2,4-difluorophenyl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-[(2,4-difluorophenyl)methylamino]benzenesulfonamide
PubChem CID43745797
Molecular FormulaC13H11ClF2N2O2S
Molecular Weight332.76 g/mol
Exact Mass332.02
IUPAC Name4-chloro-3-[(2,4-difluorophenyl)methylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Cl)c(NCc2ccc(F)cc2F)c1
InChIInChI=1S/C13H11ClF2N2O2S/c14-11-4-3-10(21(17,19)20)6-13(11)18-7-8-1-2-9(15)5-12(8)16/h1-6,18H,7H2,(H2,17,19,20)
InChIKeyQVQIHBMMLBWSCW-UHFFFAOYSA-N
XLogP2.88
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.76
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-[(5-fluoro-2-hydroxyphenyl)methylamino]benzenesulfonamide
CID 107694382
4-chloro-3-[(2,3-difluorophenyl)methylamino]benzenesulfonamide
CID 63668069
4-chloro-3-[(3-chloro-2-hydroxyphenyl)methylamino]benzenesulfonamide
CID 115951518
2-chloro-1-N-[(2,4-difluorophenyl)methyl]benzene-1,4-diamine
CID 62222059
2-chloro-4-fluoro-N-(2-fluoro-4-sulfamoylphenyl)benzenesulfonamide
CID 60579083
4-chloro-3-[(3,4-dimethylphenyl)methylamino]benzenesulfonamide
CID 43791004
3-cyano-4-[2-(2,4-difluorophenyl)ethylamino]benzenesulfonamide
CID 71871110
4-chloro-3-[(4-methoxyphenyl)methylamino]benzenesulfonamide
CID 43745796
4-chloro-3-(ethylsulfonylamino)benzenesulfonamide
CID 61132365
4-chloro-3-(chloromethylsulfonylamino)benzenesulfonamide
CID 63666623
4-chloro-3-[(1-methylpyrrol-3-yl)methylamino]benzenesulfonamide
CID 66400436
4-chloro-3-(1H-imidazol-5-ylmethylamino)benzenesulfonamide
CID 62763734

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2,4-difluorophenyl)methylamino]benzenesulfonamide?
The IUPAC name of 4-chloro-3-[(2,4-difluorophenyl)methylamino]benzenesulfonamide (CID 43745797) is 4-chloro-3-[(2,4-difluorophenyl)methylamino]benzenesulfonamide.
What is the SMILES notation for 4-chloro-3-[(2,4-difluorophenyl)methylamino]benzenesulfonamide?
The canonical SMILES for 4-chloro-3-[(2,4-difluorophenyl)methylamino]benzenesulfonamide is NS(=O)(=O)c1ccc(Cl)c(NCc2ccc(F)cc2F)c1.
What is the InChIKey of 4-chloro-3-[(2,4-difluorophenyl)methylamino]benzenesulfonamide?
The InChIKey is QVQIHBMMLBWSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2O2S/c14-11-4-3-10(21(17,19)20)6-13(11)18-7-8-1-2-9(15)5-12(8)16/h1-6,18H,7H2,(H2,17,19,20).
What are the key properties of 4-chloro-3-[(2,4-difluorophenyl)methylamino]benzenesulfonamide?
4-chloro-3-[(2,4-difluorophenyl)methylamino]benzenesulfonamide has a molecular weight of 332.76 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2,4-difluorophenyl)methylamino]benzenesulfonamide is sourced from PubChem (CID 43745797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).