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

C16H19NO2S — CID 63000036

IUPAC2-methyl-N-(2-propylphenyl)benzenesulfonamide
SMILESCCCc1ccccc1NS(=O)(=O)c1ccccc1C
InChIInChI=1S/C16H19NO2S/c1-3-8-14-10-5-6-11-15(14)17-20(18,19)16-12-7-4-9-13(16)2/h4-7,9-12,17H,3,8H2,1-2H3
InChIKeySGYRYKZWICTCAZ-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.75
Rot. Bonds5

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

2-methyl-N-(2-propylphenyl)benzenesulfonamide (PubChem CID 63000036) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-methyl-N-(2-propylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-(2-propylphenyl)benzenesulfonamide
PubChem CID63000036
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name2-methyl-N-(2-propylphenyl)benzenesulfonamide
SMILESCCCc1ccccc1NS(=O)(=O)c1ccccc1C
InChIInChI=1S/C16H19NO2S/c1-3-8-14-10-5-6-11-15(14)17-20(18,19)16-12-7-4-9-13(16)2/h4-7,9-12,17H,3,8H2,1-2H3
InChIKeySGYRYKZWICTCAZ-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

1-N,2-N-bis(2-ethylphenyl)benzene-1,2-disulfonamide
CID 25048038
2-chloro-N-(2-propylphenyl)pyridine-3-sulfonamide
CID 60749011
methyl 2-[(2-butylphenyl)sulfamoyl]benzoate
CID 54336773
2-methyl-N-(4-propylphenyl)benzenesulfonamide
CID 62999654
N-[2-(methanesulfonamido)phenyl]-2-methylbenzenesulfonamide
CID 113093452
N-(2-butylphenyl)-2-nitrobenzenesulfonamide
CID 22774386
N-(2-butylphenyl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 22774384
4-butyl-N-(2-butylphenyl)benzenesulfonamide
CID 22774370
N-[2-[(2-methylphenyl)sulfonylamino]phenyl]acetamide
CID 113093732
N-(2-butylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 22774401
N-(2-butylphenyl)-4-ethoxybenzenesulfonamide
CID 22774366
2-bromo-N-(2-ethylphenyl)benzenesulfonamide
CID 26949668

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-propylphenyl)benzenesulfonamide?
The IUPAC name of 2-methyl-N-(2-propylphenyl)benzenesulfonamide (CID 63000036) is 2-methyl-N-(2-propylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-(2-propylphenyl)benzenesulfonamide?
The canonical SMILES for 2-methyl-N-(2-propylphenyl)benzenesulfonamide is CCCc1ccccc1NS(=O)(=O)c1ccccc1C.
What is the InChIKey of 2-methyl-N-(2-propylphenyl)benzenesulfonamide?
The InChIKey is SGYRYKZWICTCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-3-8-14-10-5-6-11-15(14)17-20(18,19)16-12-7-4-9-13(16)2/h4-7,9-12,17H,3,8H2,1-2H3.
What are the key properties of 2-methyl-N-(2-propylphenyl)benzenesulfonamide?
2-methyl-N-(2-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-(2-propylphenyl)benzenesulfonamide is sourced from PubChem (CID 63000036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).