5-acetyl-2-chloro-4-fluoro-N-methylbenzenesulfonamide

C9H9ClFNO3S — CID 58727951

IUPAC5-acetyl-2-chloro-4-fluoro-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C(C)=O)c(F)cc1Cl
InChIInChI=1S/C9H9ClFNO3S/c1-5(13)6-3-9(16(14,15)12-2)7(10)4-8(6)11/h3-4,12H,1-2H3
InChIKeyHXMMQGNXHMMIKQ-UHFFFAOYSA-N
MW265.69 g/mol
LogP1.59
Rot. Bonds3

About 5-acetyl-2-chloro-4-fluoro-N-methylbenzenesulfonamide

5-acetyl-2-chloro-4-fluoro-N-methylbenzenesulfonamide (PubChem CID 58727951) has the molecular formula C9H9ClFNO3S and a molecular weight of 265.69 g/mol. Its IUPAC name is 5-acetyl-2-chloro-4-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-acetyl-2-chloro-4-fluoro-N-methylbenzenesulfonamide
PubChem CID58727951
Molecular FormulaC9H9ClFNO3S
Molecular Weight265.69 g/mol
Exact Mass265.00
IUPAC Name5-acetyl-2-chloro-4-fluoro-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C(C)=O)c(F)cc1Cl
InChIInChI=1S/C9H9ClFNO3S/c1-5(13)6-3-9(16(14,15)12-2)7(10)4-8(6)11/h3-4,12H,1-2H3
InChIKeyHXMMQGNXHMMIKQ-UHFFFAOYSA-N
XLogP1.59
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.69
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-methyl-5-propanoylbenzenesulfonamide
CID 70931275
2-chloro-5-(2,2-dimethylpropanoyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 58960986
1-(5-amino-4-chloro-2-fluorophenyl)ethanone
CID 131597067
2-chloro-5-(methylsulfamoyl)-4-(trifluoromethyl)benzoic acid
CID 154231211
CID 87791047
CID 87791047
2-acetyl-N-methylbenzenesulfonamide
CID 130548930
5-acetyl-2-chloro-4-fluorobenzonitrile
CID 171005519
2-chloro-5-(dimethylcarbamoyl)-4-fluorobenzenesulfonyl chloride
CID 65372566
1-(4-chloro-2-fluorophenyl)ethanone;ethane
CID 142194505
tert-butyl 4-chloro-5-chlorosulfonyl-2-fluorobenzoate
CID 65397316
1-(2-chloro-5-fluoro-4-hydroxyphenyl)ethanone
CID 171003348
4-chloro-N-methyl-3-(methylsulfamoyl)benzamide
CID 19394

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-chloro-4-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of 5-acetyl-2-chloro-4-fluoro-N-methylbenzenesulfonamide (CID 58727951) is 5-acetyl-2-chloro-4-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-acetyl-2-chloro-4-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for 5-acetyl-2-chloro-4-fluoro-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cc(C(C)=O)c(F)cc1Cl.
What is the InChIKey of 5-acetyl-2-chloro-4-fluoro-N-methylbenzenesulfonamide?
The InChIKey is HXMMQGNXHMMIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO3S/c1-5(13)6-3-9(16(14,15)12-2)7(10)4-8(6)11/h3-4,12H,1-2H3.
What are the key properties of 5-acetyl-2-chloro-4-fluoro-N-methylbenzenesulfonamide?
5-acetyl-2-chloro-4-fluoro-N-methylbenzenesulfonamide has a molecular weight of 265.69 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-chloro-4-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 58727951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).