3-(benzenesulfonyl)-N-(3-methylphenyl)propanamide

C16H17NO3S — CID 716755

IUPAC3-(benzenesulfonyl)-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C16H17NO3S/c1-13-6-5-7-14(12-13)17-16(18)10-11-21(19,20)15-8-3-2-4-9-15/h2-9,12H,10-11H2,1H3,(H,17,18)
InChIKeyGZEFYXVCSZGEKM-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.80
Rot. Bonds5

About 3-(benzenesulfonyl)-N-(3-methylphenyl)propanamide

3-(benzenesulfonyl)-N-(3-methylphenyl)propanamide (PubChem CID 716755) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(3-methylphenyl)propanamide
PubChem CID716755
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name3-(benzenesulfonyl)-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C16H17NO3S/c1-13-6-5-7-14(12-13)17-16(18)10-11-21(19,20)15-8-3-2-4-9-15/h2-9,12H,10-11H2,1H3,(H,17,18)
InChIKeyGZEFYXVCSZGEKM-UHFFFAOYSA-N
XLogP2.80
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-(3-methylphenyl)propanamide (CID 716755) is 3-(benzenesulfonyl)-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)CCS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 3-(benzenesulfonyl)-N-(3-methylphenyl)propanamide?
The InChIKey is GZEFYXVCSZGEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-13-6-5-7-14(12-13)17-16(18)10-11-21(19,20)15-8-3-2-4-9-15/h2-9,12H,10-11H2,1H3,(H,17,18).
What are the key properties of 3-(benzenesulfonyl)-N-(3-methylphenyl)propanamide?
3-(benzenesulfonyl)-N-(3-methylphenyl)propanamide has a molecular weight of 303.38 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 716755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).