2-cyano-N-(2-methyl-1-phenylpropyl)benzenesulfonamide

C17H18N2O2S — CID 17464362

IUPAC2-cyano-N-(2-methyl-1-phenylpropyl)benzenesulfonamide
SMILESCC(C)C(NS(=O)(=O)c1ccccc1C#N)c1ccccc1
InChIInChI=1S/C17H18N2O2S/c1-13(2)17(14-8-4-3-5-9-14)19-22(20,21)16-11-7-6-10-15(16)12-18/h3-11,13,17,19H,1-2H3
InChIKeyZPSNXMDQGYIQNH-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.23
Rot. Bonds5

About 2-cyano-N-(2-methyl-1-phenylpropyl)benzenesulfonamide

2-cyano-N-(2-methyl-1-phenylpropyl)benzenesulfonamide (PubChem CID 17464362) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-cyano-N-(2-methyl-1-phenylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-(2-methyl-1-phenylpropyl)benzenesulfonamide
PubChem CID17464362
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name2-cyano-N-(2-methyl-1-phenylpropyl)benzenesulfonamide
SMILESCC(C)C(NS(=O)(=O)c1ccccc1C#N)c1ccccc1
InChIInChI=1S/C17H18N2O2S/c1-13(2)17(14-8-4-3-5-9-14)19-22(20,21)16-11-7-6-10-15(16)12-18/h3-11,13,17,19H,1-2H3
InChIKeyZPSNXMDQGYIQNH-UHFFFAOYSA-N
XLogP3.23
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-2-methyl-1-phenylpropyl]benzenesulfonamide
CID 40522121
2-cyano-N-pent-4-en-2-ylbenzenesulfonamide
CID 113317113
2-cyano-N-(2-methylsulfanylpropyl)benzenesulfonamide
CID 113320190
2-cyano-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 40973699
2-cyano-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide
CID 113318745
2-cyano-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93084103
2-cyano-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide;molecular hydrogen
CID 142506802
2-[(2-cyanophenyl)sulfonylamino]hexanoic acid
CID 43386741
(2S)-2-[(2-cyanophenyl)sulfonylamino]pentanedioic acid
CID 61143430
2-cyano-N-prop-2-ynylbenzenesulfonamide
CID 9356113
N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyanobenzenesulfonamide
CID 115310566
2-(2-cyanophenyl)sulfonylbenzonitrile
CID 18934243

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-methyl-1-phenylpropyl)benzenesulfonamide?
The IUPAC name of 2-cyano-N-(2-methyl-1-phenylpropyl)benzenesulfonamide (CID 17464362) is 2-cyano-N-(2-methyl-1-phenylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-(2-methyl-1-phenylpropyl)benzenesulfonamide?
The canonical SMILES for 2-cyano-N-(2-methyl-1-phenylpropyl)benzenesulfonamide is CC(C)C(NS(=O)(=O)c1ccccc1C#N)c1ccccc1.
What is the InChIKey of 2-cyano-N-(2-methyl-1-phenylpropyl)benzenesulfonamide?
The InChIKey is ZPSNXMDQGYIQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-13(2)17(14-8-4-3-5-9-14)19-22(20,21)16-11-7-6-10-15(16)12-18/h3-11,13,17,19H,1-2H3.
What are the key properties of 2-cyano-N-(2-methyl-1-phenylpropyl)benzenesulfonamide?
2-cyano-N-(2-methyl-1-phenylpropyl)benzenesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-methyl-1-phenylpropyl)benzenesulfonamide is sourced from PubChem (CID 17464362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).