2-(3-oxopentan-2-yl)benzenesulfonamide

C11H15NO3S — CID 63549984

IUPAC2-(3-oxopentan-2-yl)benzenesulfonamide
SMILESCCC(=O)C(C)c1ccccc1S(N)(=O)=O
InChIInChI=1S/C11H15NO3S/c1-3-10(13)8(2)9-6-4-5-7-11(9)16(12,14)15/h4-8H,3H2,1-2H3,(H2,12,14,15)
InChIKeyLYNFPRUUEFUFKV-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.42
Rot. Bonds4

About 2-(3-oxopentan-2-yl)benzenesulfonamide

2-(3-oxopentan-2-yl)benzenesulfonamide (PubChem CID 63549984) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-(3-oxopentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(3-oxopentan-2-yl)benzenesulfonamide
PubChem CID63549984
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name2-(3-oxopentan-2-yl)benzenesulfonamide
SMILESCCC(=O)C(C)c1ccccc1S(N)(=O)=O
InChIInChI=1S/C11H15NO3S/c1-3-10(13)8(2)9-6-4-5-7-11(9)16(12,14)15/h4-8H,3H2,1-2H3,(H2,12,14,15)
InChIKeyLYNFPRUUEFUFKV-UHFFFAOYSA-N
XLogP1.42
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 167679845
2-(2-bromopentan-3-yl)benzenesulfonamide
CID 63203612
2-(3-chloropentan-2-yl)benzenesulfonamide
CID 63562150
ethyl 3,4-dihydroxy-4-(2-sulfamoylphenyl)butanoate
CID 171897814
2-[(2S,3S)-1-hydroxy-3-methyloctan-2-yl]benzenesulfonamide
CID 140551026
2-(dichloromethyl)benzenesulfonamide
CID 13364615
2-[(2S,3R)-1-hydroxy-3-methylnonan-2-yl]benzenesulfonamide
CID 140551000
2-[(3S,4S)-5-hydroxy-3,7-dimethyloct-6-en-4-yl]benzenesulfonamide
CID 140550981
methyl 3,4-dihydroxy-4-(2-sulfamoylphenyl)butanoate
CID 171896022
1-(2-bromophenyl)-1-hydroxybutan-2-one
CID 51032688
N-butan-2-yl-N-methyl-2-sulfamoylbenzamide
CID 43273244
2-[(3S,4S)-5-hydroxy-3-methylundecan-4-yl]benzenesulfonamide
CID 140550987

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxopentan-2-yl)benzenesulfonamide?
The IUPAC name of 2-(3-oxopentan-2-yl)benzenesulfonamide (CID 63549984) is 2-(3-oxopentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-(3-oxopentan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-(3-oxopentan-2-yl)benzenesulfonamide is CCC(=O)C(C)c1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-(3-oxopentan-2-yl)benzenesulfonamide?
The InChIKey is LYNFPRUUEFUFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-3-10(13)8(2)9-6-4-5-7-11(9)16(12,14)15/h4-8H,3H2,1-2H3,(H2,12,14,15).
What are the key properties of 2-(3-oxopentan-2-yl)benzenesulfonamide?
2-(3-oxopentan-2-yl)benzenesulfonamide has a molecular weight of 241.31 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxopentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 63549984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).