4-chloro-N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide

C18H15ClFNO4S3 — CID 16829664

IUPAC4-chloro-N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
SMILESO=S(=O)(NCC(c1cccs1)S(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClFNO4S3/c19-13-3-7-16(8-4-13)28(24,25)21-12-18(17-2-1-11-26-17)27(22,23)15-9-5-14(20)6-10-15/h1-11,18,21H,12H2
InChIKeyJXWIITKDLRWBPZ-UHFFFAOYSA-N
MW459.97 g/mol
LogP4.03
Rot. Bonds7

About 4-chloro-N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide

4-chloro-N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide (PubChem CID 16829664) has the molecular formula C18H15ClFNO4S3 and a molecular weight of 459.97 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
PubChem CID16829664
Molecular FormulaC18H15ClFNO4S3
Molecular Weight459.97 g/mol
Exact Mass458.98
IUPAC Name4-chloro-N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
SMILESO=S(=O)(NCC(c1cccs1)S(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClFNO4S3/c19-13-3-7-16(8-4-13)28(24,25)21-12-18(17-2-1-11-26-17)27(22,23)15-9-5-14(20)6-10-15/h1-11,18,21H,12H2
InChIKeyJXWIITKDLRWBPZ-UHFFFAOYSA-N
XLogP4.03
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.97
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]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-chloro-N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide (CID 16829664) is 4-chloro-N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide is O=S(=O)(NCC(c1cccs1)S(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide?
The InChIKey is JXWIITKDLRWBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFNO4S3/c19-13-3-7-16(8-4-13)28(24,25)21-12-18(17-2-1-11-26-17)27(22,23)15-9-5-14(20)6-10-15/h1-11,18,21H,12H2.
What are the key properties of 4-chloro-N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide?
4-chloro-N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide has a molecular weight of 459.97 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide is sourced from PubChem (CID 16829664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).