3-cyano-N-(1-phenylpropan-2-yl)benzenesulfonamide

C16H16N2O2S — CID 63010767

IUPAC3-cyano-N-(1-phenylpropan-2-yl)benzenesulfonamide
SMILESCC(Cc1ccccc1)NS(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C16H16N2O2S/c1-13(10-14-6-3-2-4-7-14)18-21(19,20)16-9-5-8-15(11-16)12-17/h2-9,11,13,18H,10H2,1H3
InChIKeyXHJQHICCYYDTSX-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.47
Rot. Bonds5

About 3-cyano-N-(1-phenylpropan-2-yl)benzenesulfonamide

3-cyano-N-(1-phenylpropan-2-yl)benzenesulfonamide (PubChem CID 63010767) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-cyano-N-(1-phenylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-(1-phenylpropan-2-yl)benzenesulfonamide
PubChem CID63010767
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name3-cyano-N-(1-phenylpropan-2-yl)benzenesulfonamide
SMILESCC(Cc1ccccc1)NS(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C16H16N2O2S/c1-13(10-14-6-3-2-4-7-14)18-21(19,20)16-9-5-8-15(11-16)12-17/h2-9,11,13,18H,10H2,1H3
InChIKeyXHJQHICCYYDTSX-UHFFFAOYSA-N
XLogP2.47
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 42999377
3-cyano-N-(4,4,4-trifluorobutan-2-yl)benzenesulfonamide
CID 104854782
3-cyano-N-(4-ethylsulfanylbutan-2-yl)benzenesulfonamide
CID 115662747
N-but-3-en-2-yl-3-cyanobenzenesulfonamide
CID 103750108
3-[(3-cyanophenyl)sulfonylamino]-4-methylpentanoic acid
CID 75496514
3-cyano-N-(3-oxopentan-2-yl)benzenesulfonamide
CID 64994464
3-cyano-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103837026
3-cyano-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 42999070
3-cyano-N-(1-cyanobutan-2-yl)benzenesulfonamide
CID 62646004
2-(benzenesulfonamido)-N-(3-cyanophenyl)propanamide
CID 51143303
3-cyano-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 47013218
3-cyano-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 103270415

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(1-phenylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 3-cyano-N-(1-phenylpropan-2-yl)benzenesulfonamide (CID 63010767) is 3-cyano-N-(1-phenylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-(1-phenylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-cyano-N-(1-phenylpropan-2-yl)benzenesulfonamide is CC(Cc1ccccc1)NS(=O)(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-(1-phenylpropan-2-yl)benzenesulfonamide?
The InChIKey is XHJQHICCYYDTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-13(10-14-6-3-2-4-7-14)18-21(19,20)16-9-5-8-15(11-16)12-17/h2-9,11,13,18H,10H2,1H3.
What are the key properties of 3-cyano-N-(1-phenylpropan-2-yl)benzenesulfonamide?
3-cyano-N-(1-phenylpropan-2-yl)benzenesulfonamide has a molecular weight of 300.38 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(1-phenylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 63010767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).