2-methyl-2-(4-methylphenyl)propane-1-sulfonamide

C11H17NO2S — CID 115036327

IUPAC2-methyl-2-(4-methylphenyl)propane-1-sulfonamide
SMILESCc1ccc(C(C)(C)CS(N)(=O)=O)cc1
InChIInChI=1S/C11H17NO2S/c1-9-4-6-10(7-5-9)11(2,3)8-15(12,13)14/h4-7H,8H2,1-3H3,(H2,12,13,14)
InChIKeyHMYHVLWGOHGWEI-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.56
Rot. Bonds3

About 2-methyl-2-(4-methylphenyl)propane-1-sulfonamide

2-methyl-2-(4-methylphenyl)propane-1-sulfonamide (PubChem CID 115036327) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-methyl-2-(4-methylphenyl)propane-1-sulfonamide.

Molecular Properties

Compound Name2-methyl-2-(4-methylphenyl)propane-1-sulfonamide
PubChem CID115036327
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name2-methyl-2-(4-methylphenyl)propane-1-sulfonamide
SMILESCc1ccc(C(C)(C)CS(N)(=O)=O)cc1
InChIInChI=1S/C11H17NO2S/c1-9-4-6-10(7-5-9)11(2,3)8-15(12,13)14/h4-7H,8H2,1-3H3,(H2,12,13,14)
InChIKeyHMYHVLWGOHGWEI-UHFFFAOYSA-N
XLogP1.56
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-2-(4-methylphenyl)propane-1-sulfonamide 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

2,4-dimethyl-4-(4-methylphenyl)pentan-2-amine
CID 71251464
2-methyl-2-(4-methylphenyl)propan-1-amine;propane
CID 143028408
O-[2-methyl-2-(4-methylphenyl)propyl]hydroxylamine
CID 83683498
1-tert-butyl-4-methylbenzene
CID 163486601
1-methyl-4-(2-methyl-4-phosphorosobutan-2-yl)benzene
CID 158388011
N-tert-butyl-2-methyl-2-(4-methylphenyl)propan-1-amine
CID 62595544
tetrakis(1-tert-butyl-4-methylbenzene);ethane
CID 163240916
1-methyl-4-[(sulfamoylamino)methyl]benzene
CID 21041221
1-ethoxy-2-(4-methylphenyl)-1-oxopropane-2-sulfonic acid
CID 141252571
[2-methyl-2-(4-methylphenyl)propyl]carbamoylazanide;ruthenium(1+)
CID 142973882
N-butan-2-yl-2-methyl-2-(4-methylphenyl)propan-1-amine
CID 115716554
3-amino-N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]butanamide;hydrochloride
CID 119805929

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-methylphenyl)propane-1-sulfonamide?
The IUPAC name of 2-methyl-2-(4-methylphenyl)propane-1-sulfonamide (CID 115036327) is 2-methyl-2-(4-methylphenyl)propane-1-sulfonamide.
What is the SMILES notation for 2-methyl-2-(4-methylphenyl)propane-1-sulfonamide?
The canonical SMILES for 2-methyl-2-(4-methylphenyl)propane-1-sulfonamide is Cc1ccc(C(C)(C)CS(N)(=O)=O)cc1.
What is the InChIKey of 2-methyl-2-(4-methylphenyl)propane-1-sulfonamide?
The InChIKey is HMYHVLWGOHGWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-9-4-6-10(7-5-9)11(2,3)8-15(12,13)14/h4-7H,8H2,1-3H3,(H2,12,13,14).
What are the key properties of 2-methyl-2-(4-methylphenyl)propane-1-sulfonamide?
2-methyl-2-(4-methylphenyl)propane-1-sulfonamide has a molecular weight of 227.33 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-methylphenyl)propane-1-sulfonamide is sourced from PubChem (CID 115036327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).