N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-4-fluoro-2-methylbenzenesulfonamide

C19H17ClFNO4S3 — CID 41193593

IUPACN-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClFNO4S3/c1-13-11-15(21)6-9-18(13)29(25,26)22-12-19(17-3-2-10-27-17)28(23,24)16-7-4-14(20)5-8-16/h2-11,19,22H,12H2,1H3/t19-/m0/s1
InChIKeyJMVTURCNOHSZOO-IBGZPJMESA-N
MW474.00 g/mol
LogP4.34
Rot. Bonds7

About N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-4-fluoro-2-methylbenzenesulfonamide

N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 41193593) has the molecular formula C19H17ClFNO4S3 and a molecular weight of 474.00 g/mol. Its IUPAC name is N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-4-fluoro-2-methylbenzenesulfonamide
PubChem CID41193593
Molecular FormulaC19H17ClFNO4S3
Molecular Weight474.00 g/mol
Exact Mass473.00
IUPAC NameN-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClFNO4S3/c1-13-11-15(21)6-9-18(13)29(25,26)22-12-19(17-3-2-10-27-17)28(23,24)16-7-4-14(20)5-8-16/h2-11,19,22H,12H2,1H3/t19-/m0/s1
InChIKeyJMVTURCNOHSZOO-IBGZPJMESA-N
XLogP4.34
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.00
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide
CID 16829653
N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 41193116
4-chloro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 41193498
N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-2,4,6-trimethylbenzenesulfonamide
CID 41193669
4-fluoro-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 16829644
N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 18574230
2,5-difluoro-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
CID 16829668
4-fluoro-2-methyl-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
CID 44648994
4-fluoro-3-methyl-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
CID 18574253
4-methyl-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 41193494
N-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-2,5-dimethylbenzenesulfonamide
CID 41193427
2,4,6-trimethyl-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 41193478

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-4-fluoro-2-methylbenzenesulfonamide (CID 41193593) is N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-4-fluoro-2-methylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is JMVTURCNOHSZOO-IBGZPJMESA-N. The full InChI is InChI=1S/C19H17ClFNO4S3/c1-13-11-15(21)6-9-18(13)29(25,26)22-12-19(17-3-2-10-27-17)28(23,24)16-7-4-14(20)5-8-16/h2-11,19,22H,12H2,1H3/t19-/m0/s1.
What are the key properties of N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-4-fluoro-2-methylbenzenesulfonamide?
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-4-fluoro-2-methylbenzenesulfonamide has a molecular weight of 474.00 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 41193593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).