3-(benzenesulfonyl)propanamide

C9H11NO3S — CID 853565

IUPAC3-(benzenesulfonyl)propanamide
SMILESNC(=O)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C9H11NO3S/c10-9(11)6-7-14(12,13)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11)
InChIKeyIDVZUJCDAGZPOI-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.34
Rot. Bonds4

About 3-(benzenesulfonyl)propanamide

3-(benzenesulfonyl)propanamide (PubChem CID 853565) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is 3-(benzenesulfonyl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)propanamide
PubChem CID853565
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Name3-(benzenesulfonyl)propanamide
SMILESNC(=O)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C9H11NO3S/c10-9(11)6-7-14(12,13)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11)
InChIKeyIDVZUJCDAGZPOI-UHFFFAOYSA-N
XLogP0.34
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)propanamide?
The IUPAC name of 3-(benzenesulfonyl)propanamide (CID 853565) is 3-(benzenesulfonyl)propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)propanamide?
The canonical SMILES for 3-(benzenesulfonyl)propanamide is NC(=O)CCS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)propanamide?
The InChIKey is IDVZUJCDAGZPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c10-9(11)6-7-14(12,13)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11).
What are the key properties of 3-(benzenesulfonyl)propanamide?
3-(benzenesulfonyl)propanamide has a molecular weight of 213.26 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)propanamide is sourced from PubChem (CID 853565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).