N-(3-bromophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C16H15BrN2O3S — CID 8822294

IUPACN-(3-bromophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESO=C1CCCN1c1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C16H15BrN2O3S/c17-12-3-1-4-13(11-12)18-23(21,22)15-8-6-14(7-9-15)19-10-2-5-16(19)20/h1,3-4,6-9,11,18H,2,5,10H2
InChIKeyKUHSDBSGWFVXQJ-UHFFFAOYSA-N
MW395.28 g/mol
LogP3.38
Rot. Bonds4

About N-(3-bromophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

N-(3-bromophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 8822294) has the molecular formula C16H15BrN2O3S and a molecular weight of 395.28 g/mol. Its IUPAC name is N-(3-bromophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID8822294
Molecular FormulaC16H15BrN2O3S
Molecular Weight395.28 g/mol
Exact Mass394.00
IUPAC NameN-(3-bromophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESO=C1CCCN1c1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C16H15BrN2O3S/c17-12-3-1-4-13(11-12)18-23(21,22)15-8-6-14(7-9-15)19-10-2-5-16(19)20/h1,3-4,6-9,11,18H,2,5,10H2
InChIKeyKUHSDBSGWFVXQJ-UHFFFAOYSA-N
XLogP3.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.28
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-bromophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-(3-bromophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 8822294) is N-(3-bromophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(3-bromophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-(3-bromophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is O=C1CCCN1c1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1.
What is the InChIKey of N-(3-bromophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is KUHSDBSGWFVXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O3S/c17-12-3-1-4-13(11-12)18-23(21,22)15-8-6-14(7-9-15)19-10-2-5-16(19)20/h1,3-4,6-9,11,18H,2,5,10H2.
What are the key properties of N-(3-bromophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
N-(3-bromophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 395.28 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 8822294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).