3-chloro-N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide

C18H15ClFNO4S3 — CID 51449272

IUPAC3-chloro-N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@H](c1ccc(F)cc1)S(=O)(=O)c1cccs1)c1cccc(Cl)c1
InChIInChI=1S/C18H15ClFNO4S3/c19-14-3-1-4-16(11-14)28(24,25)21-12-17(13-6-8-15(20)9-7-13)27(22,23)18-5-2-10-26-18/h1-11,17,21H,12H2/t17-/m1/s1
InChIKeyAGKVLTZILQLBCW-QGZVFWFLSA-N
MW459.97 g/mol
LogP4.03
Rot. Bonds7

About 3-chloro-N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide

3-chloro-N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide (PubChem CID 51449272) has the molecular formula C18H15ClFNO4S3 and a molecular weight of 459.97 g/mol. Its IUPAC name is 3-chloro-N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
PubChem CID51449272
Molecular FormulaC18H15ClFNO4S3
Molecular Weight459.97 g/mol
Exact Mass458.98
IUPAC Name3-chloro-N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@H](c1ccc(F)cc1)S(=O)(=O)c1cccs1)c1cccc(Cl)c1
InChIInChI=1S/C18H15ClFNO4S3/c19-14-3-1-4-16(11-14)28(24,25)21-12-17(13-6-8-15(20)9-7-13)27(22,23)18-5-2-10-26-18/h1-11,17,21H,12H2/t17-/m1/s1
InChIKeyAGKVLTZILQLBCW-QGZVFWFLSA-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

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Related Compounds

N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-3,4-dimethylbenzenesulfonamide
CID 51449246
4-ethyl-N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 50753608
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]methanesulfonamide
CID 44649354
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 50753525
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]propane-1-sulfonamide
CID 44649356
N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 51662831
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2,5-dimethoxybenzenesulfonamide
CID 44649372
N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 51449275
4-fluoro-2-methyl-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
CID 44648994
N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 51662837
4-fluoro-3-methyl-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
CID 18574253
2,5-difluoro-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
CID 16829668

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide (CID 51449272) is 3-chloro-N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide is O=S(=O)(NC[C@H](c1ccc(F)cc1)S(=O)(=O)c1cccs1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide?
The InChIKey is AGKVLTZILQLBCW-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H15ClFNO4S3/c19-14-3-1-4-16(11-14)28(24,25)21-12-17(13-6-8-15(20)9-7-13)27(22,23)18-5-2-10-26-18/h1-11,17,21H,12H2/t17-/m1/s1.
What are the key properties of 3-chloro-N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide?
3-chloro-N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]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 3-chloro-N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide is sourced from PubChem (CID 51449272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).