3-(benzenesulfonyl)-N-(4-cyanophenyl)propanamide

C16H14N2O3S — CID 17310101

IUPAC3-(benzenesulfonyl)-N-(4-cyanophenyl)propanamide
SMILESN#Cc1ccc(NC(=O)CCS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H14N2O3S/c17-12-13-6-8-14(9-7-13)18-16(19)10-11-22(20,21)15-4-2-1-3-5-15/h1-9H,10-11H2,(H,18,19)
InChIKeyYTBQIXCTFFWYJZ-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.36
Rot. Bonds5

About 3-(benzenesulfonyl)-N-(4-cyanophenyl)propanamide

3-(benzenesulfonyl)-N-(4-cyanophenyl)propanamide (PubChem CID 17310101) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(4-cyanophenyl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(4-cyanophenyl)propanamide
PubChem CID17310101
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC Name3-(benzenesulfonyl)-N-(4-cyanophenyl)propanamide
SMILESN#Cc1ccc(NC(=O)CCS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H14N2O3S/c17-12-13-6-8-14(9-7-13)18-16(19)10-11-22(20,21)15-4-2-1-3-5-15/h1-9H,10-11H2,(H,18,19)
InChIKeyYTBQIXCTFFWYJZ-UHFFFAOYSA-N
XLogP2.36
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)sulfonyl-N-(4-cyanophenyl)propanamide
CID 26665455
N-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide
CID 17310102
3-(benzenesulfonyl)-N-(4-bromophenyl)propanamide
CID 7202615
3-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide
CID 4285781
3-(benzenesulfonyl)-N-[4-(ethylsulfamoyl)phenyl]propanamide
CID 17310169
N-[3-(4-acetamidophenyl)prop-2-ynyl]-3-(benzenesulfonyl)propanamide
CID 90551701
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(4-cyanophenyl)propanamide
CID 110428569
N,N'-bis(4-cyanophenyl)pentanediamide
CID 730657
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
3-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 3163464
3-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)propanamide
CID 17310097
3-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]propanamide
CID 17310164

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(4-cyanophenyl)propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-(4-cyanophenyl)propanamide (CID 17310101) is 3-(benzenesulfonyl)-N-(4-cyanophenyl)propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(4-cyanophenyl)propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-(4-cyanophenyl)propanamide is N#Cc1ccc(NC(=O)CCS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 3-(benzenesulfonyl)-N-(4-cyanophenyl)propanamide?
The InChIKey is YTBQIXCTFFWYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c17-12-13-6-8-14(9-7-13)18-16(19)10-11-22(20,21)15-4-2-1-3-5-15/h1-9H,10-11H2,(H,18,19).
What are the key properties of 3-(benzenesulfonyl)-N-(4-cyanophenyl)propanamide?
3-(benzenesulfonyl)-N-(4-cyanophenyl)propanamide has a molecular weight of 314.37 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(4-cyanophenyl)propanamide is sourced from PubChem (CID 17310101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).