4-cyano-N-(4-phenylbutan-2-yl)benzenesulfonamide

C17H18N2O2S — CID 3590491

IUPAC4-cyano-N-(4-phenylbutan-2-yl)benzenesulfonamide
SMILESCC(CCc1ccccc1)NS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C17H18N2O2S/c1-14(7-8-15-5-3-2-4-6-15)19-22(20,21)17-11-9-16(13-18)10-12-17/h2-6,9-12,14,19H,7-8H2,1H3
InChIKeySXUMQPXPSUXPCD-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.86
Rot. Bonds6

About 4-cyano-N-(4-phenylbutan-2-yl)benzenesulfonamide

4-cyano-N-(4-phenylbutan-2-yl)benzenesulfonamide (PubChem CID 3590491) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-cyano-N-(4-phenylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(4-phenylbutan-2-yl)benzenesulfonamide
PubChem CID3590491
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name4-cyano-N-(4-phenylbutan-2-yl)benzenesulfonamide
SMILESCC(CCc1ccccc1)NS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C17H18N2O2S/c1-14(7-8-15-5-3-2-4-6-15)19-22(20,21)17-11-9-16(13-18)10-12-17/h2-6,9-12,14,19H,7-8H2,1H3
InChIKeySXUMQPXPSUXPCD-UHFFFAOYSA-N
XLogP2.86
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(4-phenylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-cyano-N-(4-phenylbutan-2-yl)benzenesulfonamide (CID 3590491) is 4-cyano-N-(4-phenylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(4-phenylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-cyano-N-(4-phenylbutan-2-yl)benzenesulfonamide is CC(CCc1ccccc1)NS(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-(4-phenylbutan-2-yl)benzenesulfonamide?
The InChIKey is SXUMQPXPSUXPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-14(7-8-15-5-3-2-4-6-15)19-22(20,21)17-11-9-16(13-18)10-12-17/h2-6,9-12,14,19H,7-8H2,1H3.
What are the key properties of 4-cyano-N-(4-phenylbutan-2-yl)benzenesulfonamide?
4-cyano-N-(4-phenylbutan-2-yl)benzenesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(4-phenylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 3590491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).