2,4-dimethyl-N-(4-propan-2-ylphenyl)benzenesulfonamide

C17H21NO2S — CID 22773866

IUPAC2,4-dimethyl-N-(4-propan-2-ylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)c(C)c1
InChIInChI=1S/C17H21NO2S/c1-12(2)15-6-8-16(9-7-15)18-21(19,20)17-10-5-13(3)11-14(17)4/h5-12,18H,1-4H3
InChIKeyRUEPXJCSFQDULB-UHFFFAOYSA-N
MW303.43 g/mol
LogP4.23
Rot. Bonds4

About 2,4-dimethyl-N-(4-propan-2-ylphenyl)benzenesulfonamide

2,4-dimethyl-N-(4-propan-2-ylphenyl)benzenesulfonamide (PubChem CID 22773866) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is 2,4-dimethyl-N-(4-propan-2-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(4-propan-2-ylphenyl)benzenesulfonamide
PubChem CID22773866
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name2,4-dimethyl-N-(4-propan-2-ylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)c(C)c1
InChIInChI=1S/C17H21NO2S/c1-12(2)15-6-8-16(9-7-15)18-21(19,20)17-10-5-13(3)11-14(17)4/h5-12,18H,1-4H3
InChIKeyRUEPXJCSFQDULB-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

4-propan-2-yl-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 22202745
5-bromo-2-methyl-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 60661360
N-[3-(1-hydroxyethyl)phenyl]-2,4-dimethylbenzenesulfonamide
CID 43508604
2,4-dichloro-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 69228032
4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(4-propan-2-ylphenyl)benzamide
CID 4268232
N-(4-fluorophenyl)-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 6456729
2-amino-4-chloro-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 28549919
ethyl N-[4-[(2,4-dimethylphenyl)sulfonylamino]phenyl]carbamate
CID 60534888
2,4-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 19683803
N,2-dimethyl-4-propan-2-ylbenzenesulfonamide
CID 58551120
N-(4-chloro-3-nitrophenyl)-2,4-dimethylbenzenesulfonamide
CID 22775100
3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 126388649

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(4-propan-2-ylphenyl)benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-(4-propan-2-ylphenyl)benzenesulfonamide (CID 22773866) is 2,4-dimethyl-N-(4-propan-2-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-(4-propan-2-ylphenyl)benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-(4-propan-2-ylphenyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-(4-propan-2-ylphenyl)benzenesulfonamide?
The InChIKey is RUEPXJCSFQDULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-12(2)15-6-8-16(9-7-15)18-21(19,20)17-10-5-13(3)11-14(17)4/h5-12,18H,1-4H3.
What are the key properties of 2,4-dimethyl-N-(4-propan-2-ylphenyl)benzenesulfonamide?
2,4-dimethyl-N-(4-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 2,4-dimethyl-N-(4-propan-2-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 22773866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).