N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

C17H18N2O3S — CID 968625

IUPACN-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1
InChIInChI=1S/C17H18N2O3S/c20-17(14-6-2-1-3-7-14)18-15-8-10-16(11-9-15)23(21,22)19-12-4-5-13-19/h1-3,6-11H,4-5,12-13H2,(H,18,20)
InChIKeyFOIHMQOPHKNMHA-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.72
Rot. Bonds4

About N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (PubChem CID 968625) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound NameN-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
PubChem CID968625
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1
InChIInChI=1S/C17H18N2O3S/c20-17(14-6-2-1-3-7-14)18-15-8-10-16(11-9-15)23(21,22)19-12-4-5-13-19/h1-3,6-11H,4-5,12-13H2,(H,18,20)
InChIKeyFOIHMQOPHKNMHA-UHFFFAOYSA-N
XLogP2.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide 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-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (CID 968625) is N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1.
What is the InChIKey of N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is FOIHMQOPHKNMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c20-17(14-6-2-1-3-7-14)18-15-8-10-16(11-9-15)23(21,22)19-12-4-5-13-19/h1-3,6-11H,4-5,12-13H2,(H,18,20).
What are the key properties of N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 330.41 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 968625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).