N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzenesulfonamide

C19H17ClFNO5S3 — CID 18574230

IUPACN-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(c2cccs2)S(=O)(=O)c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C19H17ClFNO5S3/c1-27-17-9-8-15(11-16(17)21)30(25,26)22-12-19(18-3-2-10-28-18)29(23,24)14-6-4-13(20)5-7-14/h2-11,19,22H,12H2,1H3
InChIKeyXXOZRRHVUAZYLR-UHFFFAOYSA-N
MW490.00 g/mol
LogP4.04
Rot. Bonds8

About N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzenesulfonamide

N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzenesulfonamide (PubChem CID 18574230) has the molecular formula C19H17ClFNO5S3 and a molecular weight of 490.00 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzenesulfonamide
PubChem CID18574230
Molecular FormulaC19H17ClFNO5S3
Molecular Weight490.00 g/mol
Exact Mass488.99
IUPAC NameN-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(c2cccs2)S(=O)(=O)c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C19H17ClFNO5S3/c1-27-17-9-8-15(11-16(17)21)30(25,26)22-12-19(18-3-2-10-28-18)29(23,24)14-6-4-13(20)5-7-14/h2-11,19,22H,12H2,1H3
InChIKeyXXOZRRHVUAZYLR-UHFFFAOYSA-N
XLogP4.04
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.00
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzenesulfonamide 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-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide
CID 16829653
3-fluoro-N-(2-hydroxy-2-thiophen-2-ylethyl)-4-methoxybenzenesulfonamide
CID 90500313
4-chloro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 41193498
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 41193593
4-fluoro-3-methyl-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
CID 18574253
4-methoxy-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 18574221
4-methoxy-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 41193508
4-methyl-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 41193494
4-fluoro-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 16829644
3-fluoro-N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-4-methoxybenzenesulfonamide
CID 40775184
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 41193078
N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3,4-dimethoxybenzenesulfonamide
CID 95967218

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzenesulfonamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzenesulfonamide (CID 18574230) is N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCC(c2cccs2)S(=O)(=O)c2ccc(Cl)cc2)cc1F.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzenesulfonamide?
The InChIKey is XXOZRRHVUAZYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFNO5S3/c1-27-17-9-8-15(11-16(17)21)30(25,26)22-12-19(18-3-2-10-28-18)29(23,24)14-6-4-13(20)5-7-14/h2-11,19,22H,12H2,1H3.
What are the key properties of N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzenesulfonamide?
N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzenesulfonamide has a molecular weight of 490.00 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzenesulfonamide is sourced from PubChem (CID 18574230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).