3-(benzenesulfonamido)-N-(2-cyanophenyl)propanamide

C16H15N3O3S — CID 17225888

IUPAC3-(benzenesulfonamido)-N-(2-cyanophenyl)propanamide
SMILESN#Cc1ccccc1NC(=O)CCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H15N3O3S/c17-12-13-6-4-5-9-15(13)19-16(20)10-11-18-23(21,22)14-7-2-1-3-8-14/h1-9,18H,10-11H2,(H,19,20)
InChIKeyVOCNNHJHLLVJSV-UHFFFAOYSA-N
MW329.38 g/mol
LogP1.87
Rot. Bonds6

About 3-(benzenesulfonamido)-N-(2-cyanophenyl)propanamide

3-(benzenesulfonamido)-N-(2-cyanophenyl)propanamide (PubChem CID 17225888) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-(2-cyanophenyl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-(2-cyanophenyl)propanamide
PubChem CID17225888
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name3-(benzenesulfonamido)-N-(2-cyanophenyl)propanamide
SMILESN#Cc1ccccc1NC(=O)CCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H15N3O3S/c17-12-13-6-4-5-9-15(13)19-16(20)10-11-18-23(21,22)14-7-2-1-3-8-14/h1-9,18H,10-11H2,(H,19,20)
InChIKeyVOCNNHJHLLVJSV-UHFFFAOYSA-N
XLogP1.87
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-bromophenyl)sulfonylamino]-N-(2-cyanophenyl)propanamide
CID 17192424
N-(2-cyanophenyl)-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
CID 122189465
[2-(2-cyanoanilino)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 2559727
N-(2-cyanophenyl)-3-hydroxypropanamide
CID 43165059
N-(2-cyanophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide
CID 113001872
N-(2-cyanophenyl)benzenesulfonamide
CID 736007
3-(benzenesulfonamido)-N-[2-(4-methylbenzoyl)phenyl]propanamide
CID 86807944
2-[[3-(2-cyanoanilino)-3-oxopropyl]amino]-2-methylpropanoic acid
CID 65263681
[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 7168395
3-(4-cyanoanilino)-N-(2-cyanophenyl)propanamide
CID 109042807
N-(2-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 17154113
N-(2-cyanophenyl)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 113001906

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-(2-cyanophenyl)propanamide?
The IUPAC name of 3-(benzenesulfonamido)-N-(2-cyanophenyl)propanamide (CID 17225888) is 3-(benzenesulfonamido)-N-(2-cyanophenyl)propanamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-(2-cyanophenyl)propanamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-(2-cyanophenyl)propanamide is N#Cc1ccccc1NC(=O)CCNS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonamido)-N-(2-cyanophenyl)propanamide?
The InChIKey is VOCNNHJHLLVJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c17-12-13-6-4-5-9-15(13)19-16(20)10-11-18-23(21,22)14-7-2-1-3-8-14/h1-9,18H,10-11H2,(H,19,20).
What are the key properties of 3-(benzenesulfonamido)-N-(2-cyanophenyl)propanamide?
3-(benzenesulfonamido)-N-(2-cyanophenyl)propanamide has a molecular weight of 329.38 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-(2-cyanophenyl)propanamide is sourced from PubChem (CID 17225888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).