N-cyclopropyl-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide

C13H16N2O3S — CID 5136036

IUPACN-cyclopropyl-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide
SMILESO=C1CC(c2ccc(S(=O)(=O)NC3CC3)cc2)CN1
InChIInChI=1S/C13H16N2O3S/c16-13-7-10(8-14-13)9-1-5-12(6-2-9)19(17,18)15-11-3-4-11/h1-2,5-6,10-11,15H,3-4,7-8H2,(H,14,16)
InChIKeyATJQHDIOQXTGCP-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.73
Rot. Bonds4

About N-cyclopropyl-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide

N-cyclopropyl-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide (PubChem CID 5136036) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-cyclopropyl-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide
PubChem CID5136036
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC NameN-cyclopropyl-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide
SMILESO=C1CC(c2ccc(S(=O)(=O)NC3CC3)cc2)CN1
InChIInChI=1S/C13H16N2O3S/c16-13-7-10(8-14-13)9-1-5-12(6-2-9)19(17,18)15-11-3-4-11/h1-2,5-6,10-11,15H,3-4,7-8H2,(H,14,16)
InChIKeyATJQHDIOQXTGCP-UHFFFAOYSA-N
XLogP0.73
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide (CID 5136036) is N-cyclopropyl-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide is O=C1CC(c2ccc(S(=O)(=O)NC3CC3)cc2)CN1.
What is the InChIKey of N-cyclopropyl-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
The InChIKey is ATJQHDIOQXTGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c16-13-7-10(8-14-13)9-1-5-12(6-2-9)19(17,18)15-11-3-4-11/h1-2,5-6,10-11,15H,3-4,7-8H2,(H,14,16).
What are the key properties of N-cyclopropyl-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
N-cyclopropyl-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 5136036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).