N-[4-(2,2-dimethylpropanoyl)phenyl]methanesulfonamide

C12H17NO3S — CID 43161143

IUPACN-[4-(2,2-dimethylpropanoyl)phenyl]methanesulfonamide
SMILESCC(C)(C)C(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C12H17NO3S/c1-12(2,3)11(14)9-5-7-10(8-6-9)13-17(4,15)16/h5-8,13H,1-4H3
InChIKeyQOHYWBURCLVLJO-UHFFFAOYSA-N
MW255.34 g/mol
LogP2.29
Rot. Bonds3

About N-[4-(2,2-dimethylpropanoyl)phenyl]methanesulfonamide

N-[4-(2,2-dimethylpropanoyl)phenyl]methanesulfonamide (PubChem CID 43161143) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-[4-(2,2-dimethylpropanoyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(2,2-dimethylpropanoyl)phenyl]methanesulfonamide
PubChem CID43161143
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC NameN-[4-(2,2-dimethylpropanoyl)phenyl]methanesulfonamide
SMILESCC(C)(C)C(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C12H17NO3S/c1-12(2,3)11(14)9-5-7-10(8-6-9)13-17(4,15)16/h5-8,13H,1-4H3
InChIKeyQOHYWBURCLVLJO-UHFFFAOYSA-N
XLogP2.29
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-(2,2-dimethylpropanoyl)phenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(2,2-dimethylpropanoyl)phenyl]methyl]methanesulfonamide
CID 58961002
N-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]methanesulfonamide
CID 21486683
N-(1-hydroxy-2-methylpropan-2-yl)-4-(methanesulfonamido)benzamide
CID 43392916
N-[4-(cyclobutanecarbonyl)phenyl]methanesulfonamide
CID 43161158
2,2-dimethyl-1-[4-(methylsulfanylamino)phenyl]propan-1-one
CID 142910674
N-[4-[4-(4-tert-butylbenzoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 108535301
1-(4-acetylphenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875225
N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]methanesulfonamide
CID 6612326
N-(4-iodophenyl)-4-(methanesulfonamido)benzamide
CID 1289280
N-[4-(4-methylsulfanylbenzoyl)phenyl]methanesulfonamide
CID 79212173
N-[4-(oxane-4-carbonyl)phenyl]methanesulfonamide
CID 62907557
1-[4-[(E)-4-[4-(2,2-dimethylpropanoyl)phenyl]-2,2,5,5-tetramethylhex-3-en-3-yl]phenyl]-2,2-dimethylpropan-1-one
CID 15372819

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2-dimethylpropanoyl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(2,2-dimethylpropanoyl)phenyl]methanesulfonamide (CID 43161143) is N-[4-(2,2-dimethylpropanoyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(2,2-dimethylpropanoyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(2,2-dimethylpropanoyl)phenyl]methanesulfonamide is CC(C)(C)C(=O)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-(2,2-dimethylpropanoyl)phenyl]methanesulfonamide?
The InChIKey is QOHYWBURCLVLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-12(2,3)11(14)9-5-7-10(8-6-9)13-17(4,15)16/h5-8,13H,1-4H3.
What are the key properties of N-[4-(2,2-dimethylpropanoyl)phenyl]methanesulfonamide?
N-[4-(2,2-dimethylpropanoyl)phenyl]methanesulfonamide has a molecular weight of 255.34 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2-dimethylpropanoyl)phenyl]methanesulfonamide is sourced from PubChem (CID 43161143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).