N-(3-oxobutan-2-yl)benzenesulfonamide

C10H13NO3S — CID 64994182

IUPACN-(3-oxobutan-2-yl)benzenesulfonamide
SMILESCC(=O)C(C)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H13NO3S/c1-8(9(2)12)11-15(13,14)10-6-4-3-5-7-10/h3-8,11H,1-2H3
InChIKeyIWRHVSHKLGHUEZ-UHFFFAOYSA-N
MW227.28 g/mol
LogP0.94
Rot. Bonds4

About N-(3-oxobutan-2-yl)benzenesulfonamide

N-(3-oxobutan-2-yl)benzenesulfonamide (PubChem CID 64994182) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is N-(3-oxobutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-oxobutan-2-yl)benzenesulfonamide
PubChem CID64994182
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC NameN-(3-oxobutan-2-yl)benzenesulfonamide
SMILESCC(=O)C(C)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H13NO3S/c1-8(9(2)12)11-15(13,14)10-6-4-3-5-7-10/h3-8,11H,1-2H3
InChIKeyIWRHVSHKLGHUEZ-UHFFFAOYSA-N
XLogP0.94
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(benzenesulfonamido)propanamide
CID 970705
4-acetyl-N-(3-oxobutan-2-yl)benzenesulfonamide
CID 64994023
N-(1-oxo-1-phenylpropan-2-yl)benzenesulfonamide
CID 13293562
methyl (2S)-2-(benzenesulfonamido)propanoate
CID 10857687
(2S)-2-(benzenesulfonamido)-N-phenylpropanamide
CID 41330853
2-(benzenesulfonamido)-N-propan-2-ylpropanamide
CID 3279426
N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide
CID 4240198
(2S)-2-(benzenesulfonamido)-N-benzhydrylpropanamide
CID 124596255
(2S)-2-(benzenesulfonamido)-3-methylbutanoic acid;methane
CID 158887122
(2S)-2-(benzenesulfonamido)-N-[(2R)-butan-2-yl]propanamide
CID 41330742
(2S)-2-(benzenesulfonamido)-N-(2-phenylethyl)propanamide
CID 41330945
(2S)-2-(benzenesulfonamido)-N,N-dibenzylpropanamide
CID 41330771

Frequently Asked Questions

What is the IUPAC name of N-(3-oxobutan-2-yl)benzenesulfonamide?
The IUPAC name of N-(3-oxobutan-2-yl)benzenesulfonamide (CID 64994182) is N-(3-oxobutan-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(3-oxobutan-2-yl)benzenesulfonamide?
The canonical SMILES for N-(3-oxobutan-2-yl)benzenesulfonamide is CC(=O)C(C)NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(3-oxobutan-2-yl)benzenesulfonamide?
The InChIKey is IWRHVSHKLGHUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-8(9(2)12)11-15(13,14)10-6-4-3-5-7-10/h3-8,11H,1-2H3.
What are the key properties of N-(3-oxobutan-2-yl)benzenesulfonamide?
N-(3-oxobutan-2-yl)benzenesulfonamide has a molecular weight of 227.28 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxobutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 64994182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).