3-chloro-N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]benzenesulfonamide

C16H15ClFNO3S — CID 97250225

IUPAC3-chloro-N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]benzenesulfonamide
SMILESC[C@@H](CC(=O)c1ccc(F)cc1)NS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H15ClFNO3S/c1-11(9-16(20)12-5-7-14(18)8-6-12)19-23(21,22)15-4-2-3-13(17)10-15/h2-8,10-11,19H,9H2,1H3/t11-/m0/s1
InChIKeyMIGYYMSIGVCJSN-NSHDSACASA-N
MW355.82 g/mol
LogP3.42
Rot. Bonds6

About 3-chloro-N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]benzenesulfonamide

3-chloro-N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]benzenesulfonamide (PubChem CID 97250225) has the molecular formula C16H15ClFNO3S and a molecular weight of 355.82 g/mol. Its IUPAC name is 3-chloro-N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]benzenesulfonamide
PubChem CID97250225
Molecular FormulaC16H15ClFNO3S
Molecular Weight355.82 g/mol
Exact Mass355.04
IUPAC Name3-chloro-N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]benzenesulfonamide
SMILESC[C@@H](CC(=O)c1ccc(F)cc1)NS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H15ClFNO3S/c1-11(9-16(20)12-5-7-14(18)8-6-12)19-23(21,22)15-4-2-3-13(17)10-15/h2-8,10-11,19H,9H2,1H3/t11-/m0/s1
InChIKeyMIGYYMSIGVCJSN-NSHDSACASA-N
XLogP3.42
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(4-fluorophenyl)-4-oxobutan-2-yl]sulfamoyl]-N,N-dimethylbenzamide
CID 75394970
3-chloro-N-(4-chlorobutan-2-yl)benzenesulfonamide
CID 83180571
5-[(3-chlorophenyl)sulfonylamino]hexanoic acid
CID 82854503
2-[(3-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 43084241
N-(3-chlorophenyl)sulfonyl-2-methylpropanamide
CID 47269833
N-[1-(4-fluorophenyl)propan-2-yl]-3-hydroxybenzenesulfonamide
CID 81265120
N-[4-(butan-2-ylsulfamoyl)-2-fluorophenyl]-3-chlorobenzamide
CID 18892739
3-(butan-2-ylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide
CID 109062897
N-(1-amino-3-methylbutan-2-yl)-3-chlorobenzenesulfonamide
CID 65192522
3-chloro-N-[4-(2-sulfanylacetyl)phenyl]benzenesulfonamide
CID 87731949
4-amino-2-[(3-chlorophenyl)sulfonylamino]-4-oxobutanoic acid
CID 43084159
2-[(3-chlorophenyl)sulfonylamino]pentanoic acid
CID 43631155

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]benzenesulfonamide (CID 97250225) is 3-chloro-N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]benzenesulfonamide is C[C@@H](CC(=O)c1ccc(F)cc1)NS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]benzenesulfonamide?
The InChIKey is MIGYYMSIGVCJSN-NSHDSACASA-N. The full InChI is InChI=1S/C16H15ClFNO3S/c1-11(9-16(20)12-5-7-14(18)8-6-12)19-23(21,22)15-4-2-3-13(17)10-15/h2-8,10-11,19H,9H2,1H3/t11-/m0/s1.
What are the key properties of 3-chloro-N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]benzenesulfonamide?
3-chloro-N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]benzenesulfonamide has a molecular weight of 355.82 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]benzenesulfonamide is sourced from PubChem (CID 97250225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).