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

C14H21NO3S — CID 49460708

IUPAC4-acetyl-N-(2-methylpentan-2-yl)benzenesulfonamide
SMILESCCCC(C)(C)NS(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C14H21NO3S/c1-5-10-14(3,4)15-19(17,18)13-8-6-12(7-9-13)11(2)16/h6-9,15H,5,10H2,1-4H3
InChIKeyRBRFOMWBNROLSU-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.75
Rot. Bonds6

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

4-acetyl-N-(2-methylpentan-2-yl)benzenesulfonamide (PubChem CID 49460708) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 4-acetyl-N-(2-methylpentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(2-methylpentan-2-yl)benzenesulfonamide
PubChem CID49460708
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name4-acetyl-N-(2-methylpentan-2-yl)benzenesulfonamide
SMILESCCCC(C)(C)NS(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C14H21NO3S/c1-5-10-14(3,4)15-19(17,18)13-8-6-12(7-9-13)11(2)16/h6-9,15H,5,10H2,1-4H3
InChIKeyRBRFOMWBNROLSU-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide
CID 115606746
4-acetyl-N-propylbenzenesulfonamide
CID 2064043
N-(2-methylpentan-2-yl)-4-(methylsulfamoyl)benzamide
CID 49416341
4-[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]benzoic acid
CID 110454209
4-methyl-N-(2-methylheptan-2-yl)benzenesulfonamide
CID 86230028
4-acetyl-N-ethoxybenzenesulfonamide
CID 60700500
4-amino-3-fluoro-N-(2-methylpentan-2-yl)benzenesulfonamide
CID 113471557
ethyl 4-[(1-amino-2-methylpropan-2-yl)sulfamoyl]benzoate;hydrochloride
CID 119975673
diethyl 2-[(4-acetylphenyl)sulfonylamino]propanedioate
CID 5224259
2-amino-N-(2-methylpentan-2-yl)pyrimidine-5-sulfonamide
CID 113471995
4-[[4-(dimethylamino)phenyl]sulfonylamino]-4-methylpentanoic acid
CID 122068851
1-(4-tert-butylsulfonylphenyl)ethanone
CID 21402495

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(2-methylpentan-2-yl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(2-methylpentan-2-yl)benzenesulfonamide (CID 49460708) is 4-acetyl-N-(2-methylpentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(2-methylpentan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(2-methylpentan-2-yl)benzenesulfonamide is CCCC(C)(C)NS(=O)(=O)c1ccc(C(C)=O)cc1.
What is the InChIKey of 4-acetyl-N-(2-methylpentan-2-yl)benzenesulfonamide?
The InChIKey is RBRFOMWBNROLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-5-10-14(3,4)15-19(17,18)13-8-6-12(7-9-13)11(2)16/h6-9,15H,5,10H2,1-4H3.
What are the key properties of 4-acetyl-N-(2-methylpentan-2-yl)benzenesulfonamide?
4-acetyl-N-(2-methylpentan-2-yl)benzenesulfonamide has a molecular weight of 283.39 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(2-methylpentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 49460708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).