N-(2-ethenyl-5-methylphenyl)-4-methylbenzenesulfonamide

C16H17NO2S — CID 163208817

IUPACN-(2-ethenyl-5-methylphenyl)-4-methylbenzenesulfonamide
SMILESC=Cc1ccc(C)cc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H17NO2S/c1-4-14-8-5-13(3)11-16(14)17-20(18,19)15-9-6-12(2)7-10-15/h4-11,17H,1H2,2-3H3
InChIKeySITDSEJAGXMQGK-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.75
Rot. Bonds4

About N-(2-ethenyl-5-methylphenyl)-4-methylbenzenesulfonamide

N-(2-ethenyl-5-methylphenyl)-4-methylbenzenesulfonamide (PubChem CID 163208817) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-(2-ethenyl-5-methylphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethenyl-5-methylphenyl)-4-methylbenzenesulfonamide
PubChem CID163208817
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC NameN-(2-ethenyl-5-methylphenyl)-4-methylbenzenesulfonamide
SMILESC=Cc1ccc(C)cc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H17NO2S/c1-4-14-8-5-13(3)11-16(14)17-20(18,19)15-9-6-12(2)7-10-15/h4-11,17H,1H2,2-3H3
InChIKeySITDSEJAGXMQGK-UHFFFAOYSA-N
XLogP3.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617
N-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]-4-methylbenzenesulfonamide
CID 2796859
4-methyl-N-[5-methyl-2-(1-phenylethenyl)phenyl]benzenesulfonamide
CID 175305873
4-methyl-N-(2,4,5-trimethylphenyl)benzenesulfonamide
CID 59317382
4-bromo-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 4517500
4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-yl]benzenesulfonamide
CID 70139059
methyl 5-[3-ethenyl-4-[(4-methylphenyl)sulfonylamino]phenoxy]-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 59566200
N-(2-ethenyl-6-nitrophenyl)-4-methylbenzenesulfonamide
CID 178015198
4-methyl-N-[4-methyl-2-(3-oxoprop-1-ynyl)phenyl]benzenesulfonamide
CID 134866072
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
4-methyl-N-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]diazenyl]phenyl]benzenesulfonamide
CID 102274853
N-(2-bromo-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 845073

Frequently Asked Questions

What is the IUPAC name of N-(2-ethenyl-5-methylphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-ethenyl-5-methylphenyl)-4-methylbenzenesulfonamide (CID 163208817) is N-(2-ethenyl-5-methylphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-ethenyl-5-methylphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-ethenyl-5-methylphenyl)-4-methylbenzenesulfonamide is C=Cc1ccc(C)cc1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(2-ethenyl-5-methylphenyl)-4-methylbenzenesulfonamide?
The InChIKey is SITDSEJAGXMQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-4-14-8-5-13(3)11-16(14)17-20(18,19)15-9-6-12(2)7-10-15/h4-11,17H,1H2,2-3H3.
What are the key properties of N-(2-ethenyl-5-methylphenyl)-4-methylbenzenesulfonamide?
N-(2-ethenyl-5-methylphenyl)-4-methylbenzenesulfonamide has a molecular weight of 287.38 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethenyl-5-methylphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 163208817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).