2,5-dichloro-N-[4-(cyanomethyl)phenyl]benzenesulfonamide

C14H10Cl2N2O2S — CID 3841445

IUPAC2,5-dichloro-N-[4-(cyanomethyl)phenyl]benzenesulfonamide
SMILESN#CCc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C14H10Cl2N2O2S/c15-11-3-6-13(16)14(9-11)21(19,20)18-12-4-1-10(2-5-12)7-8-17/h1-6,9,18H,7H2
InChIKeyFXBHMEPXOCQONM-UHFFFAOYSA-N
MW341.22 g/mol
LogP3.86
Rot. Bonds4

About 2,5-dichloro-N-[4-(cyanomethyl)phenyl]benzenesulfonamide

2,5-dichloro-N-[4-(cyanomethyl)phenyl]benzenesulfonamide (PubChem CID 3841445) has the molecular formula C14H10Cl2N2O2S and a molecular weight of 341.22 g/mol. Its IUPAC name is 2,5-dichloro-N-[4-(cyanomethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[4-(cyanomethyl)phenyl]benzenesulfonamide
PubChem CID3841445
Molecular FormulaC14H10Cl2N2O2S
Molecular Weight341.22 g/mol
Exact Mass339.98
IUPAC Name2,5-dichloro-N-[4-(cyanomethyl)phenyl]benzenesulfonamide
SMILESN#CCc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C14H10Cl2N2O2S/c15-11-3-6-13(16)14(9-11)21(19,20)18-12-4-1-10(2-5-12)7-8-17/h1-6,9,18H,7H2
InChIKeyFXBHMEPXOCQONM-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-chloro-N-[4-(cyanomethyl)phenyl]benzenesulfonamide
CID 106605805
5-chloro-N-[4-(cyanomethyl)phenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 7647934
1-(4-chloro-3-fluorophenyl)-N-[4-(cyanomethyl)phenyl]methanesulfonamide
CID 99794707
4-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid
CID 776763
3-chloro-N-[4-(cyanomethyl)phenyl]-4-methoxybenzenesulfonamide
CID 2975219
5-(aminomethyl)-2-chloro-N-(4-iodophenyl)benzenesulfonamide
CID 106029582
N-[4-(butan-2-ylsulfamoyl)phenyl]-2,5-dichlorobenzenesulfonamide
CID 2947983
5-chloro-N-(4-chlorophenyl)-2-fluorobenzenesulfonamide
CID 141028077
4-tert-butyl-N-[4-(cyanomethyl)phenyl]benzenesulfonamide
CID 25036783
2,5-dichloro-N-[3-[(2,5-dichlorophenyl)sulfonylamino]-4-methylphenyl]benzenesulfonamide
CID 4199762
5-amino-N-[4-(cyanomethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 55056893
N-[4-(butylsulfamoyl)phenyl]-2,5-dichlorobenzenesulfonamide
CID 2190292

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[4-(cyanomethyl)phenyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[4-(cyanomethyl)phenyl]benzenesulfonamide (CID 3841445) is 2,5-dichloro-N-[4-(cyanomethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[4-(cyanomethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[4-(cyanomethyl)phenyl]benzenesulfonamide is N#CCc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 2,5-dichloro-N-[4-(cyanomethyl)phenyl]benzenesulfonamide?
The InChIKey is FXBHMEPXOCQONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O2S/c15-11-3-6-13(16)14(9-11)21(19,20)18-12-4-1-10(2-5-12)7-8-17/h1-6,9,18H,7H2.
What are the key properties of 2,5-dichloro-N-[4-(cyanomethyl)phenyl]benzenesulfonamide?
2,5-dichloro-N-[4-(cyanomethyl)phenyl]benzenesulfonamide has a molecular weight of 341.22 g/mol, XLogP of 3.86, 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-[4-(cyanomethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 3841445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).