4-fluoro-2-methyl-N-(3-oxopentan-2-yl)benzenesulfonamide

C12H16FNO3S — CID 64994107

IUPAC4-fluoro-2-methyl-N-(3-oxopentan-2-yl)benzenesulfonamide
SMILESCCC(=O)C(C)NS(=O)(=O)c1ccc(F)cc1C
InChIInChI=1S/C12H16FNO3S/c1-4-11(15)9(3)14-18(16,17)12-6-5-10(13)7-8(12)2/h5-7,9,14H,4H2,1-3H3
InChIKeyOBEYADQANOGEFO-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.78
Rot. Bonds5

About 4-fluoro-2-methyl-N-(3-oxopentan-2-yl)benzenesulfonamide

4-fluoro-2-methyl-N-(3-oxopentan-2-yl)benzenesulfonamide (PubChem CID 64994107) has the molecular formula C12H16FNO3S and a molecular weight of 273.33 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-(3-oxopentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-(3-oxopentan-2-yl)benzenesulfonamide
PubChem CID64994107
Molecular FormulaC12H16FNO3S
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC Name4-fluoro-2-methyl-N-(3-oxopentan-2-yl)benzenesulfonamide
SMILESCCC(=O)C(C)NS(=O)(=O)c1ccc(F)cc1C
InChIInChI=1S/C12H16FNO3S/c1-4-11(15)9(3)14-18(16,17)12-6-5-10(13)7-8(12)2/h5-7,9,14H,4H2,1-3H3
InChIKeyOBEYADQANOGEFO-UHFFFAOYSA-N
XLogP1.78
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[(2S)-1-hydroxybutan-2-yl]-2-methylbenzenesulfonamide
CID 93084017
(2S)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]hexanoic acid
CID 104934769
2-[(4-fluoro-2-methylphenyl)sulfonylamino]butanethioamide
CID 61125035
3-[(4-fluoro-2-methylphenyl)sulfonylamino]butanethioamide
CID 62093527
4-[1-[(4-fluoro-2-methylphenyl)sulfonylamino]ethyl]-N-hydroxybenzamide
CID 58417630
N-(1-chloro-4-methylpentan-3-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 106356414
N-(1-cyanobutyl)-4-fluoro-2-methylbenzenesulfonamide
CID 61122459
4-[(4-fluoro-2-methylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 81066027
4-fluoro-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102913112
N-(2-bromopropyl)-4-fluoro-2-methylbenzenesulfonamide
CID 114295737
2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 43576306
ethyl 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]propanoate
CID 107327014

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-(3-oxopentan-2-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-(3-oxopentan-2-yl)benzenesulfonamide (CID 64994107) is 4-fluoro-2-methyl-N-(3-oxopentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-(3-oxopentan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-(3-oxopentan-2-yl)benzenesulfonamide is CCC(=O)C(C)NS(=O)(=O)c1ccc(F)cc1C.
What is the InChIKey of 4-fluoro-2-methyl-N-(3-oxopentan-2-yl)benzenesulfonamide?
The InChIKey is OBEYADQANOGEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3S/c1-4-11(15)9(3)14-18(16,17)12-6-5-10(13)7-8(12)2/h5-7,9,14H,4H2,1-3H3.
What are the key properties of 4-fluoro-2-methyl-N-(3-oxopentan-2-yl)benzenesulfonamide?
4-fluoro-2-methyl-N-(3-oxopentan-2-yl)benzenesulfonamide has a molecular weight of 273.33 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-(3-oxopentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 64994107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).