N-(benzenesulfonyl)-2,2,3-trimethylbutanamide

C13H19NO3S — CID 69481639

IUPACN-(benzenesulfonyl)-2,2,3-trimethylbutanamide
SMILESCC(C)C(C)(C)C(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H19NO3S/c1-10(2)13(3,4)12(15)14-18(16,17)11-8-6-5-7-9-11/h5-10H,1-4H3,(H,14,15)
InChIKeyDGSQYFYLFUIXAH-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.17
Rot. Bonds4

About N-(benzenesulfonyl)-2,2,3-trimethylbutanamide

N-(benzenesulfonyl)-2,2,3-trimethylbutanamide (PubChem CID 69481639) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2,2,3-trimethylbutanamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-2,2,3-trimethylbutanamide
PubChem CID69481639
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameN-(benzenesulfonyl)-2,2,3-trimethylbutanamide
SMILESCC(C)C(C)(C)C(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H19NO3S/c1-10(2)13(3,4)12(15)14-18(16,17)11-8-6-5-7-9-11/h5-10H,1-4H3,(H,14,15)
InChIKeyDGSQYFYLFUIXAH-UHFFFAOYSA-N
XLogP2.17
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(benzenesulfonyl)-2,2-dimethyl-4-oxobutanamide
CID 91092490
N-(1-oxo-1-phenylpropan-2-yl)benzenesulfonamide
CID 13293562
N-(benzenesulfonyl)-4-methylpentanamide
CID 47108729
2-(aminomethyl)-N-(benzenesulfonyl)-2-ethylbutanamide
CID 103308749
methyl N-(benzenesulfonyl)carbamate
CID 676519
3-amino-N-(benzenesulfonyl)-4,4-dimethylpentanamide
CID 103308815
N-(benzenesulfonyl)-2,2-dichloroacetamide
CID 3778605
(2S)-2-(benzenesulfonamido)-3,3-dimethylbutanoic acid
CID 61142132
N-[1-(benzenesulfonamido)-2-methyl-1-oxo-3-phenylpropan-2-yl]-N-methylbenzamide
CID 15895939
N,N'-bis(benzenesulfonyl)butanediamide
CID 12893964
N-(benzenesulfonyl)-2-methylprop-2-enamide
CID 15084877
N-(3-oxobutan-2-yl)benzenesulfonamide
CID 64994182

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-2,2,3-trimethylbutanamide?
The IUPAC name of N-(benzenesulfonyl)-2,2,3-trimethylbutanamide (CID 69481639) is N-(benzenesulfonyl)-2,2,3-trimethylbutanamide.
What is the SMILES notation for N-(benzenesulfonyl)-2,2,3-trimethylbutanamide?
The canonical SMILES for N-(benzenesulfonyl)-2,2,3-trimethylbutanamide is CC(C)C(C)(C)C(=O)NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(benzenesulfonyl)-2,2,3-trimethylbutanamide?
The InChIKey is DGSQYFYLFUIXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-10(2)13(3,4)12(15)14-18(16,17)11-8-6-5-7-9-11/h5-10H,1-4H3,(H,14,15).
What are the key properties of N-(benzenesulfonyl)-2,2,3-trimethylbutanamide?
N-(benzenesulfonyl)-2,2,3-trimethylbutanamide has a molecular weight of 269.37 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-2,2,3-trimethylbutanamide is sourced from PubChem (CID 69481639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).