2,5-dichloro-N-[cyano(phenyl)methyl]benzenesulfonamide

C14H10Cl2N2O2S — CID 60707601

IUPAC2,5-dichloro-N-[cyano(phenyl)methyl]benzenesulfonamide
SMILESN#CC(NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C14H10Cl2N2O2S/c15-11-6-7-12(16)14(8-11)21(19,20)18-13(9-17)10-4-2-1-3-5-10/h1-8,13,18H
InChIKeyOPIUAAYDNGNJJZ-UHFFFAOYSA-N
MW341.22 g/mol
LogP3.54
Rot. Bonds4

About 2,5-dichloro-N-[cyano(phenyl)methyl]benzenesulfonamide

2,5-dichloro-N-[cyano(phenyl)methyl]benzenesulfonamide (PubChem CID 60707601) has the molecular formula C14H10Cl2N2O2S and a molecular weight of 341.22 g/mol. Its IUPAC name is 2,5-dichloro-N-[cyano(phenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[cyano(phenyl)methyl]benzenesulfonamide
PubChem CID60707601
Molecular FormulaC14H10Cl2N2O2S
Molecular Weight341.22 g/mol
Exact Mass339.98
IUPAC Name2,5-dichloro-N-[cyano(phenyl)methyl]benzenesulfonamide
SMILESN#CC(NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C14H10Cl2N2O2S/c15-11-6-7-12(16)14(8-11)21(19,20)18-13(9-17)10-4-2-1-3-5-10/h1-8,13,18H
InChIKeyOPIUAAYDNGNJJZ-UHFFFAOYSA-N
XLogP3.54
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.22
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-chloro-N-[cyano(phenyl)methyl]benzenesulfonamide
CID 106605787
2-[(2,5-dichlorophenyl)sulfonylamino]-2-phenylacetic acid
CID 71563429
N-(2-bromo-1-phenylethyl)-2,5-dichlorobenzenesulfonamide
CID 114296882
2,5-dichloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103837069
2,5-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 94015794
2,5-dichloro-N-[(R)-(2-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 92646276
2,5-dibromo-N-[cyano(phenyl)methyl]benzenesulfonamide
CID 60707648
2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide
CID 121010955
2-chloro-5-cyano-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 104918937
2,5-dichloro-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22201161
N-but-3-yn-2-yl-2,5-dichlorobenzenesulfonamide
CID 114419120
N-[cyano(phenyl)methyl]-4-fluorobenzenesulfonamide
CID 3876114

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[cyano(phenyl)methyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[cyano(phenyl)methyl]benzenesulfonamide (CID 60707601) is 2,5-dichloro-N-[cyano(phenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[cyano(phenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[cyano(phenyl)methyl]benzenesulfonamide is N#CC(NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1.
What is the InChIKey of 2,5-dichloro-N-[cyano(phenyl)methyl]benzenesulfonamide?
The InChIKey is OPIUAAYDNGNJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O2S/c15-11-6-7-12(16)14(8-11)21(19,20)18-13(9-17)10-4-2-1-3-5-10/h1-8,13,18H.
What are the key properties of 2,5-dichloro-N-[cyano(phenyl)methyl]benzenesulfonamide?
2,5-dichloro-N-[cyano(phenyl)methyl]benzenesulfonamide has a molecular weight of 341.22 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[cyano(phenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 60707601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).