5-acetyl-2-methyl-N-propan-2-ylbenzenesulfonamide

C12H17NO3S — CID 39357441

IUPAC5-acetyl-2-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCC(=O)c1ccc(C)c(S(=O)(=O)NC(C)C)c1
InChIInChI=1S/C12H17NO3S/c1-8(2)13-17(15,16)12-7-11(10(4)14)6-5-9(12)3/h5-8,13H,1-4H3
InChIKeyIKXRXIRVDXEOKN-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.88
Rot. Bonds4

About 5-acetyl-2-methyl-N-propan-2-ylbenzenesulfonamide

5-acetyl-2-methyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 39357441) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 5-acetyl-2-methyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-acetyl-2-methyl-N-propan-2-ylbenzenesulfonamide
PubChem CID39357441
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name5-acetyl-2-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCC(=O)c1ccc(C)c(S(=O)(=O)NC(C)C)c1
InChIInChI=1S/C12H17NO3S/c1-8(2)13-17(15,16)12-7-11(10(4)14)6-5-9(12)3/h5-8,13H,1-4H3
InChIKeyIKXRXIRVDXEOKN-UHFFFAOYSA-N
XLogP1.88
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-(3-methylbutan-2-ylsulfamoyl)benzoic acid
CID 43088942
5-acetyl-2-methyl-N-propylbenzenesulfonamide
CID 39357440
3-(1-cyclopropylethylsulfamoyl)-4-methylbenzoic acid
CID 43401355
4-methyl-3-(5-methylhexan-2-ylsulfamoyl)benzoic acid
CID 43401328
5-bromo-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 8777711
3-(dicyclopropylmethylsulfamoyl)-4-methylbenzoic acid
CID 60715494
3-(hydrazinesulfonyl)-4-methylbenzoic acid
CID 12639642
methyl 3-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]-4-methylbenzoate
CID 39999060
1-[4-methyl-3-(propan-2-ylamino)phenyl]ethanone
CID 59080758
N-tert-butyl-2-methyl-5-(2-methylpropanoyl)benzenesulfonamide
CID 39418051
4-methyl-3-(phenylsulfamoyl)-N-propan-2-ylbenzamide
CID 961836
N-cyclopentyl-2-methyl-5-(2-methylpropanoyl)benzenesulfonamide
CID 39446109

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-methyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 5-acetyl-2-methyl-N-propan-2-ylbenzenesulfonamide (CID 39357441) is 5-acetyl-2-methyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 5-acetyl-2-methyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 5-acetyl-2-methyl-N-propan-2-ylbenzenesulfonamide is CC(=O)c1ccc(C)c(S(=O)(=O)NC(C)C)c1.
What is the InChIKey of 5-acetyl-2-methyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is IKXRXIRVDXEOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-8(2)13-17(15,16)12-7-11(10(4)14)6-5-9(12)3/h5-8,13H,1-4H3.
What are the key properties of 5-acetyl-2-methyl-N-propan-2-ylbenzenesulfonamide?
5-acetyl-2-methyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 255.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-methyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 39357441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).