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

C16H15N3O3S — CID 51143303

IUPAC2-(benzenesulfonamido)-N-(3-cyanophenyl)propanamide
SMILESCC(NS(=O)(=O)c1ccccc1)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C16H15N3O3S/c1-12(19-23(21,22)15-8-3-2-4-9-15)16(20)18-14-7-5-6-13(10-14)11-17/h2-10,12,19H,1H3,(H,18,20)
InChIKeyJOOQMZQAZAAQLR-UHFFFAOYSA-N
MW329.38 g/mol
LogP1.86
Rot. Bonds5

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

2-(benzenesulfonamido)-N-(3-cyanophenyl)propanamide (PubChem CID 51143303) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-(3-cyanophenyl)propanamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-(3-cyanophenyl)propanamide
PubChem CID51143303
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name2-(benzenesulfonamido)-N-(3-cyanophenyl)propanamide
SMILESCC(NS(=O)(=O)c1ccccc1)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C16H15N3O3S/c1-12(19-23(21,22)15-8-3-2-4-9-15)16(20)18-14-7-5-6-13(10-14)11-17/h2-10,12,19H,1H3,(H,18,20)
InChIKeyJOOQMZQAZAAQLR-UHFFFAOYSA-N
XLogP1.86
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(benzenesulfonamido)-N-phenylpropanamide
CID 41330853
(2S)-2-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide
CID 1254729
[2-(3-cyanoanilino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-3-methylbutanoate
CID 2606426
[1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-[(4-fluorophenyl)sulfonylamino]propanoate
CID 42900322
(2S)-2-amino-N-(3-cyanophenyl)propanamide
CID 22690609
N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide
CID 4240198
3-cyano-N-(3-oxopentan-2-yl)benzenesulfonamide
CID 64994464
N-(3-cyanophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide
CID 107766914
2-[(4-methylphenyl)sulfonylamino]-N-phenylpropanamide
CID 5205930
propan-2-yl (2S)-2-[(3-cyanophenyl)sulfonylamino]propanoate
CID 124588327
(2S)-2-(benzenesulfonamido)-N-(3,4-dimethoxyphenyl)propanamide
CID 51432486
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-phenylpropanamide
CID 1296182

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-(3-cyanophenyl)propanamide?
The IUPAC name of 2-(benzenesulfonamido)-N-(3-cyanophenyl)propanamide (CID 51143303) is 2-(benzenesulfonamido)-N-(3-cyanophenyl)propanamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-(3-cyanophenyl)propanamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-(3-cyanophenyl)propanamide is CC(NS(=O)(=O)c1ccccc1)C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of 2-(benzenesulfonamido)-N-(3-cyanophenyl)propanamide?
The InChIKey is JOOQMZQAZAAQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-12(19-23(21,22)15-8-3-2-4-9-15)16(20)18-14-7-5-6-13(10-14)11-17/h2-10,12,19H,1H3,(H,18,20).
What are the key properties of 2-(benzenesulfonamido)-N-(3-cyanophenyl)propanamide?
2-(benzenesulfonamido)-N-(3-cyanophenyl)propanamide has a molecular weight of 329.38 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-(3-cyanophenyl)propanamide is sourced from PubChem (CID 51143303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).