N-(3-chlorophenyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide

C15H13ClN2O2S3 — CID 50846761

IUPACN-(3-chlorophenyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
SMILESCCc1csc(-c2ccc(S(=O)(=O)Nc3cccc(Cl)c3)s2)n1
InChIInChI=1S/C15H13ClN2O2S3/c1-2-11-9-21-15(17-11)13-6-7-14(22-13)23(19,20)18-12-5-3-4-10(16)8-12/h3-9,18H,2H2,1H3
InChIKeyFNMRRSLUMXOACI-UHFFFAOYSA-N
MW384.94 g/mol
LogP4.89
Rot. Bonds5

About N-(3-chlorophenyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide

N-(3-chlorophenyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide (PubChem CID 50846761) has the molecular formula C15H13ClN2O2S3 and a molecular weight of 384.94 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
PubChem CID50846761
Molecular FormulaC15H13ClN2O2S3
Molecular Weight384.94 g/mol
Exact Mass383.98
IUPAC NameN-(3-chlorophenyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
SMILESCCc1csc(-c2ccc(S(=O)(=O)Nc3cccc(Cl)c3)s2)n1
InChIInChI=1S/C15H13ClN2O2S3/c1-2-11-9-21-15(17-11)13-6-7-14(22-13)23(19,20)18-12-5-3-4-10(16)8-12/h3-9,18H,2H2,1H3
InChIKeyFNMRRSLUMXOACI-UHFFFAOYSA-N
XLogP4.89
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.94
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-chlorophenyl)-5-(4-ethyl-1,3-thiazol-2-yl)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

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(3-chlorophenyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide (CID 50846761) is N-(3-chlorophenyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide is CCc1csc(-c2ccc(S(=O)(=O)Nc3cccc(Cl)c3)s2)n1.
What is the InChIKey of N-(3-chlorophenyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide?
The InChIKey is FNMRRSLUMXOACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2S3/c1-2-11-9-21-15(17-11)13-6-7-14(22-13)23(19,20)18-12-5-3-4-10(16)8-12/h3-9,18H,2H2,1H3.
What are the key properties of N-(3-chlorophenyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide?
N-(3-chlorophenyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide has a molecular weight of 384.94 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 50846761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).