4-(4-methylphenyl)-N-(2-methylpropyl)benzenesulfonamide

C17H21NO2S — CID 70038697

IUPAC4-(4-methylphenyl)-N-(2-methylpropyl)benzenesulfonamide
SMILESCc1ccc(-c2ccc(S(=O)(=O)NCC(C)C)cc2)cc1
InChIInChI=1S/C17H21NO2S/c1-13(2)12-18-21(19,20)17-10-8-16(9-11-17)15-6-4-14(3)5-7-15/h4-11,13,18H,12H2,1-3H3
InChIKeyAORLCXNJBSPLCG-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.60
Rot. Bonds5

About 4-(4-methylphenyl)-N-(2-methylpropyl)benzenesulfonamide

4-(4-methylphenyl)-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 70038697) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is 4-(4-methylphenyl)-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-methylphenyl)-N-(2-methylpropyl)benzenesulfonamide
PubChem CID70038697
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name4-(4-methylphenyl)-N-(2-methylpropyl)benzenesulfonamide
SMILESCc1ccc(-c2ccc(S(=O)(=O)NCC(C)C)cc2)cc1
InChIInChI=1S/C17H21NO2S/c1-13(2)12-18-21(19,20)17-10-8-16(9-11-17)15-6-4-14(3)5-7-15/h4-11,13,18H,12H2,1-3H3
InChIKeyAORLCXNJBSPLCG-UHFFFAOYSA-N
XLogP3.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,2-bis[(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 175193129
N-(2-bromo-2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 141352763
4-methyl-N-[4-(2-methylpropylamino)phenyl]benzenesulfonamide
CID 112980396
N-(4-amino-2-methylbutyl)-4-methylbenzenesulfonamide
CID 66092322
4-(2-methylpropylsulfamoyl)benzoic acid
CID 611819
4-(ethylamino)-N-(2-methylpropyl)benzenesulfonamide
CID 62149672
[4-(2-methylpropylsulfamoyl)phenyl]boronic acid
CID 91666739
N-(4-methylphenyl)-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 126212360
N-(2-methylpropyl)-4-nitrobenzenesulfonamide;hydrochloride
CID 70066584
4-methyl-N-[(3Z,5Z)-2-methylocta-3,5-dienyl]benzenesulfonamide
CID 170102517
[2-methyl-3-[(4-methylphenyl)sulfonylamino]propyl] 4-methylbenzenesulfonate
CID 25158928
N'-hydroxy-2-methyl-3-[(4-methylphenyl)sulfonylamino]propanimidamide
CID 76953347

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 4-(4-methylphenyl)-N-(2-methylpropyl)benzenesulfonamide (CID 70038697) is 4-(4-methylphenyl)-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-methylphenyl)-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 4-(4-methylphenyl)-N-(2-methylpropyl)benzenesulfonamide is Cc1ccc(-c2ccc(S(=O)(=O)NCC(C)C)cc2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is AORLCXNJBSPLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-13(2)12-18-21(19,20)17-10-8-16(9-11-17)15-6-4-14(3)5-7-15/h4-11,13,18H,12H2,1-3H3.
What are the key properties of 4-(4-methylphenyl)-N-(2-methylpropyl)benzenesulfonamide?
4-(4-methylphenyl)-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 303.43 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 70038697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).