4-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

C15H18N2O4S3 — CID 1168294

IUPAC4-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cccs1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C15H18N2O4S3/c18-23(19,16-12-13-4-3-11-22-13)14-5-7-15(8-6-14)24(20,21)17-9-1-2-10-17/h3-8,11,16H,1-2,9-10,12H2
InChIKeyABHFHIHJFXWTIS-UHFFFAOYSA-N
MW386.52 g/mol
LogP2.01
Rot. Bonds6

About 4-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

4-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 1168294) has the molecular formula C15H18N2O4S3 and a molecular weight of 386.52 g/mol. Its IUPAC name is 4-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID1168294
Molecular FormulaC15H18N2O4S3
Molecular Weight386.52 g/mol
Exact Mass386.04
IUPAC Name4-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cccs1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C15H18N2O4S3/c18-23(19,16-12-13-4-3-11-22-13)14-5-7-15(8-6-14)24(20,21)17-9-1-2-10-17/h3-8,11,16H,1-2,9-10,12H2
InChIKeyABHFHIHJFXWTIS-UHFFFAOYSA-N
XLogP2.01
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)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 4-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 1168294) is 4-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1cccs1)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 4-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is ABHFHIHJFXWTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S3/c18-23(19,16-12-13-4-3-11-22-13)14-5-7-15(8-6-14)24(20,21)17-9-1-2-10-17/h3-8,11,16H,1-2,9-10,12H2.
What are the key properties of 4-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
4-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 386.52 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 1168294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).