N-[4-(aminomethyl)-2-(furan-2-yl)phenyl]thiophene-3-sulfonamide

C15H14N2O3S2 — CID 166521372

IUPACN-[4-(aminomethyl)-2-(furan-2-yl)phenyl]thiophene-3-sulfonamide
SMILESNCc1ccc(NS(=O)(=O)c2ccsc2)c(-c2ccco2)c1
InChIInChI=1S/C15H14N2O3S2/c16-9-11-3-4-14(13(8-11)15-2-1-6-20-15)17-22(18,19)12-5-7-21-10-12/h1-8,10,17H,9,16H2
InChIKeyJCWZYVRXLIQWFB-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.27
Rot. Bonds5

About N-[4-(aminomethyl)-2-(furan-2-yl)phenyl]thiophene-3-sulfonamide

N-[4-(aminomethyl)-2-(furan-2-yl)phenyl]thiophene-3-sulfonamide (PubChem CID 166521372) has the molecular formula C15H14N2O3S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[4-(aminomethyl)-2-(furan-2-yl)phenyl]thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-2-(furan-2-yl)phenyl]thiophene-3-sulfonamide
PubChem CID166521372
Molecular FormulaC15H14N2O3S2
Molecular Weight334.42 g/mol
Exact Mass334.04
IUPAC NameN-[4-(aminomethyl)-2-(furan-2-yl)phenyl]thiophene-3-sulfonamide
SMILESNCc1ccc(NS(=O)(=O)c2ccsc2)c(-c2ccco2)c1
InChIInChI=1S/C15H14N2O3S2/c16-9-11-3-4-14(13(8-11)15-2-1-6-20-15)17-22(18,19)12-5-7-21-10-12/h1-8,10,17H,9,16H2
InChIKeyJCWZYVRXLIQWFB-UHFFFAOYSA-N
XLogP3.27
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(aminomethyl)-2-(furan-2-yl)phenyl]thiophene-3-sulfonamide 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-(aminomethyl)-2-(furan-2-yl)phenyl]thiophene-3-sulfonamide?
The IUPAC name of N-[4-(aminomethyl)-2-(furan-2-yl)phenyl]thiophene-3-sulfonamide (CID 166521372) is N-[4-(aminomethyl)-2-(furan-2-yl)phenyl]thiophene-3-sulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)-2-(furan-2-yl)phenyl]thiophene-3-sulfonamide?
The canonical SMILES for N-[4-(aminomethyl)-2-(furan-2-yl)phenyl]thiophene-3-sulfonamide is NCc1ccc(NS(=O)(=O)c2ccsc2)c(-c2ccco2)c1.
What is the InChIKey of N-[4-(aminomethyl)-2-(furan-2-yl)phenyl]thiophene-3-sulfonamide?
The InChIKey is JCWZYVRXLIQWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S2/c16-9-11-3-4-14(13(8-11)15-2-1-6-20-15)17-22(18,19)12-5-7-21-10-12/h1-8,10,17H,9,16H2.
What are the key properties of N-[4-(aminomethyl)-2-(furan-2-yl)phenyl]thiophene-3-sulfonamide?
N-[4-(aminomethyl)-2-(furan-2-yl)phenyl]thiophene-3-sulfonamide has a molecular weight of 334.42 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-2-(furan-2-yl)phenyl]thiophene-3-sulfonamide is sourced from PubChem (CID 166521372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).