N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]thiophene-2-sulfonamide

C17H22N2O2S2 — CID 110314426

IUPACN-[4-(3-pyrrolidin-1-ylpropyl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(CCCN2CCCC2)cc1)c1cccs1
InChIInChI=1S/C17H22N2O2S2/c20-23(21,17-6-4-14-22-17)18-16-9-7-15(8-10-16)5-3-13-19-11-1-2-12-19/h4,6-10,14,18H,1-3,5,11-13H2
InChIKeyABIBWFCVLUGXNK-UHFFFAOYSA-N
MW350.51 g/mol
LogP3.58
Rot. Bonds7

About N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]thiophene-2-sulfonamide

N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]thiophene-2-sulfonamide (PubChem CID 110314426) has the molecular formula C17H22N2O2S2 and a molecular weight of 350.51 g/mol. Its IUPAC name is N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(3-pyrrolidin-1-ylpropyl)phenyl]thiophene-2-sulfonamide
PubChem CID110314426
Molecular FormulaC17H22N2O2S2
Molecular Weight350.51 g/mol
Exact Mass350.11
IUPAC NameN-[4-(3-pyrrolidin-1-ylpropyl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(CCCN2CCCC2)cc1)c1cccs1
InChIInChI=1S/C17H22N2O2S2/c20-23(21,17-6-4-14-22-17)18-16-9-7-15(8-10-16)5-3-13-19-11-1-2-12-19/h4,6-10,14,18H,1-3,5,11-13H2
InChIKeyABIBWFCVLUGXNK-UHFFFAOYSA-N
XLogP3.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]thiophene-2-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-piperidin-1-ylpropyl)-4-(thiophen-2-ylsulfonylamino)benzamide
CID 18150972
N-[4-(3-phenylpropylamino)phenyl]thiophene-2-sulfonamide
CID 112984772
N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
CID 91007223
N-[4-(4-propylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide
CID 112502661
N-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethyl]phenyl]thiophene-2-sulfonamide
CID 55814844
N-(4-piperidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide
CID 1092315
N-(cyclopentylsulfamoyl)-4-(3-pyrrolidin-1-ylpropyl)aniline
CID 110633806
N-[4-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]phenyl]thiophene-2-sulfonamide
CID 78851118
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 55735081
N-[4-(1-propylazetidin-3-yl)phenyl]thiophene-2-sulfonamide
CID 86636901
N-[4-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-sulfonamide
CID 7635774
N-[4-(phenylsulfanylmethyl)phenyl]thiophene-2-sulfonamide
CID 126346342

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]thiophene-2-sulfonamide (CID 110314426) is N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccc(CCCN2CCCC2)cc1)c1cccs1.
What is the InChIKey of N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is ABIBWFCVLUGXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S2/c20-23(21,17-6-4-14-22-17)18-16-9-7-15(8-10-16)5-3-13-19-11-1-2-12-19/h4,6-10,14,18H,1-3,5,11-13H2.
What are the key properties of N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]thiophene-2-sulfonamide?
N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 350.51 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110314426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).