N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide

C12H16N2O3S — CID 891761

IUPACN-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccccc1)N1CCCC1
InChIInChI=1S/C12H16N2O3S/c15-12(14-8-4-5-9-14)10-13-18(16,17)11-6-2-1-3-7-11/h1-3,6-7,13H,4-5,8-10H2
InChIKeyCMGOVZXADHXBIP-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.59
Rot. Bonds4

About N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide

N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide (PubChem CID 891761) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
PubChem CID891761
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC NameN-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccccc1)N1CCCC1
InChIInChI=1S/C12H16N2O3S/c15-12(14-8-4-5-9-14)10-13-18(16,17)11-6-2-1-3-7-11/h1-3,6-7,13H,4-5,8-10H2
InChIKeyCMGOVZXADHXBIP-UHFFFAOYSA-N
XLogP0.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide (CID 891761) is N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide is O=C(CNS(=O)(=O)c1ccccc1)N1CCCC1.
What is the InChIKey of N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The InChIKey is CMGOVZXADHXBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c15-12(14-8-4-5-9-14)10-13-18(16,17)11-6-2-1-3-7-11/h1-3,6-7,13H,4-5,8-10H2.
What are the key properties of N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide has a molecular weight of 268.34 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 891761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).