2-cyano-N-[(4-methylphenyl)methyl]benzenesulfonamide

C15H14N2O2S — CID 2572565

IUPAC2-cyano-N-[(4-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccccc2C#N)cc1
InChIInChI=1S/C15H14N2O2S/c1-12-6-8-13(9-7-12)11-17-20(18,19)15-5-3-2-4-14(15)10-16/h2-9,17H,11H2,1H3
InChIKeyXMZZBOMJARHGBJ-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.35
Rot. Bonds4

About 2-cyano-N-[(4-methylphenyl)methyl]benzenesulfonamide

2-cyano-N-[(4-methylphenyl)methyl]benzenesulfonamide (PubChem CID 2572565) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-cyano-N-[(4-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-[(4-methylphenyl)methyl]benzenesulfonamide
PubChem CID2572565
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name2-cyano-N-[(4-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccccc2C#N)cc1
InChIInChI=1S/C15H14N2O2S/c1-12-6-8-13(9-7-12)11-17-20(18,19)15-5-3-2-4-14(15)10-16/h2-9,17H,11H2,1H3
InChIKeyXMZZBOMJARHGBJ-UHFFFAOYSA-N
XLogP2.35
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948091
2-cyano-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 60729128
2-cyano-N-[[4-(dimethylamino)phenyl]methyl]benzenesulfonamide
CID 9031818
2-cyano-N-[[4-(2-methylpropoxy)phenyl]methyl]benzenesulfonamide
CID 110781168
2-cyano-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 62057216
2-cyano-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 62309272
2-cyano-N-prop-2-ynylbenzenesulfonamide
CID 9356113
4-[[(2-cyanophenyl)sulfonylamino]methyl]-N-[(4-fluoro-3-methylphenyl)methyl]benzamide
CID 18208923
2-cyano-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110414664
2-cyano-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 110739071
2-cyano-N-[(2-methyl-1H-indol-3-yl)methyl]benzenesulfonamide
CID 110782386
2-cyano-N-(2-phenylethyl)benzenesulfonamide
CID 3500877

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 2-cyano-N-[(4-methylphenyl)methyl]benzenesulfonamide (CID 2572565) is 2-cyano-N-[(4-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-cyano-N-[(4-methylphenyl)methyl]benzenesulfonamide is Cc1ccc(CNS(=O)(=O)c2ccccc2C#N)cc1.
What is the InChIKey of 2-cyano-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is XMZZBOMJARHGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-12-6-8-13(9-7-12)11-17-20(18,19)15-5-3-2-4-14(15)10-16/h2-9,17H,11H2,1H3.
What are the key properties of 2-cyano-N-[(4-methylphenyl)methyl]benzenesulfonamide?
2-cyano-N-[(4-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 286.36 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(4-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 2572565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).