4-fluoro-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide

C19H18FNO4S3 — CID 16829644

IUPAC4-fluoro-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)C(CNS(=O)(=O)c2ccc(F)cc2)c2cccs2)cc1
InChIInChI=1S/C19H18FNO4S3/c1-14-4-8-16(9-5-14)27(22,23)19(18-3-2-12-26-18)13-21-28(24,25)17-10-6-15(20)7-11-17/h2-12,19,21H,13H2,1H3
InChIKeyIOPKRUBSAUGIEE-UHFFFAOYSA-N
MW439.56 g/mol
LogP3.69
Rot. Bonds7

About 4-fluoro-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide

4-fluoro-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide (PubChem CID 16829644) has the molecular formula C19H18FNO4S3 and a molecular weight of 439.56 g/mol. Its IUPAC name is 4-fluoro-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
PubChem CID16829644
Molecular FormulaC19H18FNO4S3
Molecular Weight439.56 g/mol
Exact Mass439.04
IUPAC Name4-fluoro-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)C(CNS(=O)(=O)c2ccc(F)cc2)c2cccs2)cc1
InChIInChI=1S/C19H18FNO4S3/c1-14-4-8-16(9-5-14)27(22,23)19(18-3-2-12-26-18)13-21-28(24,25)17-10-6-15(20)7-11-17/h2-12,19,21H,13H2,1H3
InChIKeyIOPKRUBSAUGIEE-UHFFFAOYSA-N
XLogP3.69
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 41193494
4-chloro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 41193498
N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide
CID 16829653
N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-2,4,6-trimethylbenzenesulfonamide
CID 41193669
4-methoxy-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 41193508
4-methoxy-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 18574221
N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]methanesulfonamide
CID 18574218
2,4,6-trimethyl-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 41193478
4-fluoro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 7268526
N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 41193748
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 41193593
[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]azanium
CID 9079080

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide (CID 16829644) is 4-fluoro-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)C(CNS(=O)(=O)c2ccc(F)cc2)c2cccs2)cc1.
What is the InChIKey of 4-fluoro-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide?
The InChIKey is IOPKRUBSAUGIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO4S3/c1-14-4-8-16(9-5-14)27(22,23)19(18-3-2-12-26-18)13-21-28(24,25)17-10-6-15(20)7-11-17/h2-12,19,21H,13H2,1H3.
What are the key properties of 4-fluoro-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide?
4-fluoro-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide has a molecular weight of 439.56 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide is sourced from PubChem (CID 16829644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).