3-acetyl-N-(3-methylbutan-2-yl)benzenesulfonamide

C13H19NO3S — CID 17435348

IUPAC3-acetyl-N-(3-methylbutan-2-yl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NC(C)C(C)C)c1
InChIInChI=1S/C13H19NO3S/c1-9(2)10(3)14-18(16,17)13-7-5-6-12(8-13)11(4)15/h5-10,14H,1-4H3
InChIKeyWWFQMBZEPXEJNM-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.21
Rot. Bonds5

About 3-acetyl-N-(3-methylbutan-2-yl)benzenesulfonamide

3-acetyl-N-(3-methylbutan-2-yl)benzenesulfonamide (PubChem CID 17435348) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 3-acetyl-N-(3-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-(3-methylbutan-2-yl)benzenesulfonamide
PubChem CID17435348
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name3-acetyl-N-(3-methylbutan-2-yl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NC(C)C(C)C)c1
InChIInChI=1S/C13H19NO3S/c1-9(2)10(3)14-18(16,17)13-7-5-6-12(8-13)11(4)15/h5-10,14H,1-4H3
InChIKeyWWFQMBZEPXEJNM-UHFFFAOYSA-N
XLogP2.21
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(3-acetylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 29276801
(2R)-2-[(3-acetylphenyl)sulfonylamino]propanoic acid
CID 29049479
3-(3-methylbutan-2-ylsulfamoyl)benzenecarbothioamide
CID 43131461
2-[(3-acetylphenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 43080124
3-acetyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 51169549
3-acetyl-N-hexan-2-ylbenzenesulfonamide
CID 62200637
3-acetyl-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 43501743
3-acetyl-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 62732947
3-acetyl-N-hexan-3-ylbenzenesulfonamide
CID 55031108
3-acetyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 78966562
3-acetyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 51097875
N-[4-[(3-acetylphenyl)sulfonylamino]phenyl]-2-methylpropanamide
CID 26965624

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-(3-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 3-acetyl-N-(3-methylbutan-2-yl)benzenesulfonamide (CID 17435348) is 3-acetyl-N-(3-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-(3-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-(3-methylbutan-2-yl)benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)NC(C)C(C)C)c1.
What is the InChIKey of 3-acetyl-N-(3-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is WWFQMBZEPXEJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-9(2)10(3)14-18(16,17)13-7-5-6-12(8-13)11(4)15/h5-10,14H,1-4H3.
What are the key properties of 3-acetyl-N-(3-methylbutan-2-yl)benzenesulfonamide?
3-acetyl-N-(3-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-(3-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 17435348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).