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

C13H11ClF2N2O2S — CID 63668069

IUPAC4-chloro-3-[(2,3-difluorophenyl)methylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Cl)c(NCc2cccc(F)c2F)c1
InChIInChI=1S/C13H11ClF2N2O2S/c14-10-5-4-9(21(17,19)20)6-12(10)18-7-8-2-1-3-11(15)13(8)16/h1-6,18H,7H2,(H2,17,19,20)
InChIKeyZFKLWYZANQKVHC-UHFFFAOYSA-N
MW332.76 g/mol
LogP2.88
Rot. Bonds4

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

4-chloro-3-[(2,3-difluorophenyl)methylamino]benzenesulfonamide (PubChem CID 63668069) has the molecular formula C13H11ClF2N2O2S and a molecular weight of 332.76 g/mol. Its IUPAC name is 4-chloro-3-[(2,3-difluorophenyl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-[(2,3-difluorophenyl)methylamino]benzenesulfonamide
PubChem CID63668069
Molecular FormulaC13H11ClF2N2O2S
Molecular Weight332.76 g/mol
Exact Mass332.02
IUPAC Name4-chloro-3-[(2,3-difluorophenyl)methylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Cl)c(NCc2cccc(F)c2F)c1
InChIInChI=1S/C13H11ClF2N2O2S/c14-10-5-4-9(21(17,19)20)6-12(10)18-7-8-2-1-3-11(15)13(8)16/h1-6,18H,7H2,(H2,17,19,20)
InChIKeyZFKLWYZANQKVHC-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-[(3-chloro-2-hydroxyphenyl)methylamino]benzenesulfonamide
CID 115951518
4-chloro-3-[(2,4-difluorophenyl)methylamino]benzenesulfonamide
CID 43745797
4-chloro-3-[(5-fluoro-2-hydroxyphenyl)methylamino]benzenesulfonamide
CID 107694382
4-[(2-ethylphenyl)methylamino]-3-fluorobenzenesulfonamide
CID 64693654
4-chloro-3-[(1-methylpyrrol-3-yl)methylamino]benzenesulfonamide
CID 66400436
2-chloro-N-[(2-chlorophenyl)methyl]-5-methylsulfonylaniline
CID 43682068
4-chloro-3-[(3,4-dimethylphenyl)methylamino]benzenesulfonamide
CID 43791004
6-chloro-N-[(2,3-difluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 63667887
3-bromo-4-[(3-chloro-2-hydroxyphenyl)methylamino]benzenesulfonamide
CID 115951515
4-chloro-N-[(2,3-difluorophenyl)methyl]-2-nitroaniline
CID 63667211
4-chloro-3-[(4-methoxyphenyl)methylamino]benzenesulfonamide
CID 43745796
5-[(2-chloro-5-sulfamoylanilino)methyl]furan-3-carboxylic acid
CID 104608578

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2,3-difluorophenyl)methylamino]benzenesulfonamide?
The IUPAC name of 4-chloro-3-[(2,3-difluorophenyl)methylamino]benzenesulfonamide (CID 63668069) is 4-chloro-3-[(2,3-difluorophenyl)methylamino]benzenesulfonamide.
What is the SMILES notation for 4-chloro-3-[(2,3-difluorophenyl)methylamino]benzenesulfonamide?
The canonical SMILES for 4-chloro-3-[(2,3-difluorophenyl)methylamino]benzenesulfonamide is NS(=O)(=O)c1ccc(Cl)c(NCc2cccc(F)c2F)c1.
What is the InChIKey of 4-chloro-3-[(2,3-difluorophenyl)methylamino]benzenesulfonamide?
The InChIKey is ZFKLWYZANQKVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2O2S/c14-10-5-4-9(21(17,19)20)6-12(10)18-7-8-2-1-3-11(15)13(8)16/h1-6,18H,7H2,(H2,17,19,20).
What are the key properties of 4-chloro-3-[(2,3-difluorophenyl)methylamino]benzenesulfonamide?
4-chloro-3-[(2,3-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-[(2,3-difluorophenyl)methylamino]benzenesulfonamide is sourced from PubChem (CID 63668069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).