N-[4-(1-propylazetidin-3-yl)phenyl]thiophene-2-sulfonamide

C16H20N2O2S2 — CID 86636901

IUPACN-[4-(1-propylazetidin-3-yl)phenyl]thiophene-2-sulfonamide
SMILESCCCN1CC(c2ccc(NS(=O)(=O)c3cccs3)cc2)C1
InChIInChI=1S/C16H20N2O2S2/c1-2-9-18-11-14(12-18)13-5-7-15(8-6-13)17-22(19,20)16-4-3-10-21-16/h3-8,10,14,17H,2,9,11-12H2,1H3
InChIKeyZUPRPNLHIVOJDF-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.36
Rot. Bonds6

About N-[4-(1-propylazetidin-3-yl)phenyl]thiophene-2-sulfonamide

N-[4-(1-propylazetidin-3-yl)phenyl]thiophene-2-sulfonamide (PubChem CID 86636901) has the molecular formula C16H20N2O2S2 and a molecular weight of 336.48 g/mol. Its IUPAC name is N-[4-(1-propylazetidin-3-yl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(1-propylazetidin-3-yl)phenyl]thiophene-2-sulfonamide
PubChem CID86636901
Molecular FormulaC16H20N2O2S2
Molecular Weight336.48 g/mol
Exact Mass336.10
IUPAC NameN-[4-(1-propylazetidin-3-yl)phenyl]thiophene-2-sulfonamide
SMILESCCCN1CC(c2ccc(NS(=O)(=O)c3cccs3)cc2)C1
InChIInChI=1S/C16H20N2O2S2/c1-2-9-18-11-14(12-18)13-5-7-15(8-6-13)17-22(19,20)16-4-3-10-21-16/h3-8,10,14,17H,2,9,11-12H2,1H3
InChIKeyZUPRPNLHIVOJDF-UHFFFAOYSA-N
XLogP3.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(1-propylazetidin-3-yl)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-[4-(4-propylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide
CID 112502661
N-[4-(4-ethoxyanilino)phenyl]thiophene-2-sulfonamide
CID 112987709
N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]thiophene-2-sulfonamide
CID 110314426
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 55735081
N-[4-[1-(ethylamino)ethyl]phenyl]thiophene-2-sulfonamide
CID 43508090
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 1075762
N-[4-(cyclohexylamino)phenyl]thiophene-2-sulfonamide
CID 112980784
N-[4-(3,4-dimethylanilino)phenyl]thiophene-2-sulfonamide
CID 112986376
N-[4-(1-hydroxyethyl)phenyl]thiophene-2-sulfonamide
CID 43416696
4-(azetidin-1-yl)-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide
CID 67071474
N-[4-[2-(dimethylamino)ethylamino]phenyl]thiophene-2-sulfonamide
CID 112981383
N-(4-propan-2-yloxyphenyl)thiophene-2-sulfonamide
CID 5002728

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-propylazetidin-3-yl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-(1-propylazetidin-3-yl)phenyl]thiophene-2-sulfonamide (CID 86636901) is N-[4-(1-propylazetidin-3-yl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-(1-propylazetidin-3-yl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-(1-propylazetidin-3-yl)phenyl]thiophene-2-sulfonamide is CCCN1CC(c2ccc(NS(=O)(=O)c3cccs3)cc2)C1.
What is the InChIKey of N-[4-(1-propylazetidin-3-yl)phenyl]thiophene-2-sulfonamide?
The InChIKey is ZUPRPNLHIVOJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S2/c1-2-9-18-11-14(12-18)13-5-7-15(8-6-13)17-22(19,20)16-4-3-10-21-16/h3-8,10,14,17H,2,9,11-12H2,1H3.
What are the key properties of N-[4-(1-propylazetidin-3-yl)phenyl]thiophene-2-sulfonamide?
N-[4-(1-propylazetidin-3-yl)phenyl]thiophene-2-sulfonamide has a molecular weight of 336.48 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-propylazetidin-3-yl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 86636901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).