4-acetyl-N-(3-methylpentan-2-yl)benzenesulfonamide

C14H21NO3S — CID 61395312

IUPAC4-acetyl-N-(3-methylpentan-2-yl)benzenesulfonamide
SMILESCCC(C)C(C)NS(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C14H21NO3S/c1-5-10(2)11(3)15-19(17,18)14-8-6-13(7-9-14)12(4)16/h6-11,15H,5H2,1-4H3
InChIKeyNTAPUHLRLWXCTG-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.60
Rot. Bonds6

About 4-acetyl-N-(3-methylpentan-2-yl)benzenesulfonamide

4-acetyl-N-(3-methylpentan-2-yl)benzenesulfonamide (PubChem CID 61395312) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 4-acetyl-N-(3-methylpentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(3-methylpentan-2-yl)benzenesulfonamide
PubChem CID61395312
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name4-acetyl-N-(3-methylpentan-2-yl)benzenesulfonamide
SMILESCCC(C)C(C)NS(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C14H21NO3S/c1-5-10(2)11(3)15-19(17,18)14-8-6-13(7-9-14)12(4)16/h6-11,15H,5H2,1-4H3
InChIKeyNTAPUHLRLWXCTG-UHFFFAOYSA-N
XLogP2.60
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-acetylphenyl)sulfonylamino]-3-methylpentanoic acid
CID 43081296
4-hydroxy-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 54955559
4-chloro-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 87610028
4-acetyl-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 43501748
diethyl 2-[(4-acetylphenyl)sulfonylamino]propanedioate
CID 5224259
4-acetyl-N-(3-oxobutan-2-yl)benzenesulfonamide
CID 64994023
(2S)-2-[(4-acetylphenyl)sulfonylamino]propanoic acid
CID 2080939
4-acetyl-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 103270402
(2R)-2-[(4-acetylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 29050959
4-[(4-hydroxy-3-methylbutan-2-yl)sulfamoyl]benzamide
CID 115754843
2-[4-(3-methylpentan-2-ylsulfamoyl)phenyl]ethanethioamide
CID 79186045
4-acetyl-N-hex-5-yn-3-ylbenzenesulfonamide
CID 115650461

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(3-methylpentan-2-yl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(3-methylpentan-2-yl)benzenesulfonamide (CID 61395312) is 4-acetyl-N-(3-methylpentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(3-methylpentan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(3-methylpentan-2-yl)benzenesulfonamide is CCC(C)C(C)NS(=O)(=O)c1ccc(C(C)=O)cc1.
What is the InChIKey of 4-acetyl-N-(3-methylpentan-2-yl)benzenesulfonamide?
The InChIKey is NTAPUHLRLWXCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-5-10(2)11(3)15-19(17,18)14-8-6-13(7-9-14)12(4)16/h6-11,15H,5H2,1-4H3.
What are the key properties of 4-acetyl-N-(3-methylpentan-2-yl)benzenesulfonamide?
4-acetyl-N-(3-methylpentan-2-yl)benzenesulfonamide has a molecular weight of 283.39 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(3-methylpentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 61395312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).