4-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide

C17H21NO2S — CID 2804542

IUPAC4-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1
InChIInChI=1S/C17H21NO2S/c1-12(2)16-7-5-6-14(4)17(16)18-21(19,20)15-10-8-13(3)9-11-15/h5-12,18H,1-4H3
InChIKeyGVQWVRPWSCZNPY-UHFFFAOYSA-N
MW303.43 g/mol
LogP4.23
Rot. Bonds4

About 4-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide

4-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide (PubChem CID 2804542) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is 4-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide
PubChem CID2804542
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name4-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1
InChIInChI=1S/C17H21NO2S/c1-12(2)16-7-5-6-14(4)17(16)18-21(19,20)15-10-8-13(3)9-11-15/h5-12,18H,1-4H3
InChIKeyGVQWVRPWSCZNPY-UHFFFAOYSA-N
XLogP4.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methyl-6-propan-2-ylphenyl)-4-nitrobenzenesulfonamide
CID 898813
N-tert-butyl-4-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]benzamide
CID 109061140
4-methoxy-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide
CID 956359
N-[2-(2-methoxy-1-propan-2-ylsulfanylethyl)-6-methylphenyl]-4-methylbenzenesulfonamide
CID 135051740
N-[2,6-di(propan-2-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 2696937
N-(2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide
CID 19256835
1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide
CID 84595481
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 38015649
2-(4-methylphenyl)sulfonyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 78761169
methyl 3-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]benzoate
CID 99582827
4-butan-2-yl-N-[2,6-di(propan-2-yl)phenyl]benzenesulfonamide
CID 19683986
N-(2-methyl-6-propan-2-ylphenyl)-2-oxo-3-propan-2-yl-1,3-benzothiazole-6-sulfonamide
CID 100730465

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide (CID 2804542) is 4-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1.
What is the InChIKey of 4-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide?
The InChIKey is GVQWVRPWSCZNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-12(2)16-7-5-6-14(4)17(16)18-21(19,20)15-10-8-13(3)9-11-15/h5-12,18H,1-4H3.
What are the key properties of 4-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide?
4-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide has a molecular weight of 303.43 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 2804542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).