N,3-dimethyl-4-propan-2-ylbenzenesulfonamide

C11H17NO2S — CID 70996925

IUPACN,3-dimethyl-4-propan-2-ylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C(C)C)c(C)c1
InChIInChI=1S/C11H17NO2S/c1-8(2)11-6-5-10(7-9(11)3)15(13,14)12-4/h5-8,12H,1-4H3
InChIKeyODQWHWDYPFIMBL-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.03
Rot. Bonds3

About N,3-dimethyl-4-propan-2-ylbenzenesulfonamide

N,3-dimethyl-4-propan-2-ylbenzenesulfonamide (PubChem CID 70996925) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is N,3-dimethyl-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN,3-dimethyl-4-propan-2-ylbenzenesulfonamide
PubChem CID70996925
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC NameN,3-dimethyl-4-propan-2-ylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C(C)C)c(C)c1
InChIInChI=1S/C11H17NO2S/c1-8(2)11-6-5-10(7-9(11)3)15(13,14)12-4/h5-8,12H,1-4H3
InChIKeyODQWHWDYPFIMBL-UHFFFAOYSA-N
XLogP2.03
TPSA46.17 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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,3-dimethyl-4-propan-2-ylbenzenesulfonamide 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

4-chloro-N,3-dimethylbenzenesulfonamide
CID 50876568
4-N,2-dimethylbenzene-1,4-disulfonamide
CID 162500455
N,4-dimethyl-3-(3-methylbutan-2-ylamino)benzenesulfonamide
CID 43752081
3-iodo-N,4-dimethylbenzenesulfonamide
CID 2817416
4-methyl-N-(3-methyl-4-propan-2-ylphenyl)benzenesulfonamide;molecular hydrogen
CID 143550449
4-cyano-N,3-dimethylbenzenesulfonamide
CID 106832880
4-(hydroxymethyl)-N,3-dimethylbenzenesulfonamide
CID 130524122
N-[2,6-di(propan-2-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 2696937
4-(3-methyl-4-propan-2-ylphenyl)benzenesulfonamide
CID 131866517
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-fluoro-3-methylbenzenesulfonamide
CID 100694924
2-methyl-5-(methylsulfamoyl)benzenesulfonyl chloride
CID 43469166
4-fluoro-N,3,5-trimethylbenzenesulfonamide
CID 130161057

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N,3-dimethyl-4-propan-2-ylbenzenesulfonamide (CID 70996925) is N,3-dimethyl-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N,3-dimethyl-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N,3-dimethyl-4-propan-2-ylbenzenesulfonamide is CNS(=O)(=O)c1ccc(C(C)C)c(C)c1.
What is the InChIKey of N,3-dimethyl-4-propan-2-ylbenzenesulfonamide?
The InChIKey is ODQWHWDYPFIMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-8(2)11-6-5-10(7-9(11)3)15(13,14)12-4/h5-8,12H,1-4H3.
What are the key properties of N,3-dimethyl-4-propan-2-ylbenzenesulfonamide?
N,3-dimethyl-4-propan-2-ylbenzenesulfonamide has a molecular weight of 227.33 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 70996925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).