2-methyl-N-(4-propylphenyl)benzenesulfonamide

C16H19NO2S — CID 62999654

IUPAC2-methyl-N-(4-propylphenyl)benzenesulfonamide
SMILESCCCc1ccc(NS(=O)(=O)c2ccccc2C)cc1
InChIInChI=1S/C16H19NO2S/c1-3-6-14-9-11-15(12-10-14)17-20(18,19)16-8-5-4-7-13(16)2/h4-5,7-12,17H,3,6H2,1-2H3
InChIKeyTVHLFZHXVYZNDU-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.75
Rot. Bonds5

About 2-methyl-N-(4-propylphenyl)benzenesulfonamide

2-methyl-N-(4-propylphenyl)benzenesulfonamide (PubChem CID 62999654) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-methyl-N-(4-propylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-(4-propylphenyl)benzenesulfonamide
PubChem CID62999654
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name2-methyl-N-(4-propylphenyl)benzenesulfonamide
SMILESCCCc1ccc(NS(=O)(=O)c2ccccc2C)cc1
InChIInChI=1S/C16H19NO2S/c1-3-6-14-9-11-15(12-10-14)17-20(18,19)16-8-5-4-7-13(16)2/h4-5,7-12,17H,3,6H2,1-2H3
InChIKeyTVHLFZHXVYZNDU-UHFFFAOYSA-N
XLogP3.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-phenylbenzenesulfonamide
CID 3017048
N-[4-[2-(4-methoxyphenyl)ethylamino]phenyl]-2-methylbenzenesulfonamide
CID 112983681
N-[2-[(4-propylphenyl)sulfamoyl]phenyl]propanamide
CID 142971954
N-(4-tert-butylphenyl)-2-methylbenzenesulfonamide
CID 58646057
2-methyl-N-(2-propylphenyl)benzenesulfonamide
CID 63000036
N-[3-[4-(methanesulfonamido)phenyl]propyl]-2-methylbenzenesulfonamide
CID 110417713
N-(4-ethylphenyl)-4-propylbenzenesulfonamide
CID 22773839
2-methyl-N-[4-methyl-3-[(2-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 990525
N-(4-ethylphenyl)-2-methylsulfonylbenzenesulfonamide
CID 86920060
sodium 4-[(2-methylphenyl)sulfonylamino]benzoate
CID 23687871
N-[4-(tert-butylsulfamoyl)phenyl]-4-propylbenzenesulfonamide
CID 17380992
N-[4-[4-[(2-methylphenyl)sulfonylamino]anilino]phenyl]acetamide
CID 112988408

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-propylphenyl)benzenesulfonamide?
The IUPAC name of 2-methyl-N-(4-propylphenyl)benzenesulfonamide (CID 62999654) is 2-methyl-N-(4-propylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-(4-propylphenyl)benzenesulfonamide?
The canonical SMILES for 2-methyl-N-(4-propylphenyl)benzenesulfonamide is CCCc1ccc(NS(=O)(=O)c2ccccc2C)cc1.
What is the InChIKey of 2-methyl-N-(4-propylphenyl)benzenesulfonamide?
The InChIKey is TVHLFZHXVYZNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-3-6-14-9-11-15(12-10-14)17-20(18,19)16-8-5-4-7-13(16)2/h4-5,7-12,17H,3,6H2,1-2H3.
What are the key properties of 2-methyl-N-(4-propylphenyl)benzenesulfonamide?
2-methyl-N-(4-propylphenyl)benzenesulfonamide has a molecular weight of 289.40 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-propylphenyl)benzenesulfonamide is sourced from PubChem (CID 62999654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).