4-methyl-N-[5-methyl-2-(1-phenylethenyl)phenyl]benzenesulfonamide

C22H21NO2S — CID 175305873

IUPAC4-methyl-N-[5-methyl-2-(1-phenylethenyl)phenyl]benzenesulfonamide
SMILESC=C(c1ccccc1)c1ccc(C)cc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C22H21NO2S/c1-16-9-12-20(13-10-16)26(24,25)23-22-15-17(2)11-14-21(22)18(3)19-7-5-4-6-8-19/h4-15,23H,3H2,1-2H3
InChIKeyRCEJIMXVUWHGFP-UHFFFAOYSA-N
MW363.48 g/mol
LogP5.17
Rot. Bonds5

About 4-methyl-N-[5-methyl-2-(1-phenylethenyl)phenyl]benzenesulfonamide

4-methyl-N-[5-methyl-2-(1-phenylethenyl)phenyl]benzenesulfonamide (PubChem CID 175305873) has the molecular formula C22H21NO2S and a molecular weight of 363.48 g/mol. Its IUPAC name is 4-methyl-N-[5-methyl-2-(1-phenylethenyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[5-methyl-2-(1-phenylethenyl)phenyl]benzenesulfonamide
PubChem CID175305873
Molecular FormulaC22H21NO2S
Molecular Weight363.48 g/mol
Exact Mass363.13
IUPAC Name4-methyl-N-[5-methyl-2-(1-phenylethenyl)phenyl]benzenesulfonamide
SMILESC=C(c1ccccc1)c1ccc(C)cc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C22H21NO2S/c1-16-9-12-20(13-10-16)26(24,25)23-22-15-17(2)11-14-21(22)18(3)19-7-5-4-6-8-19/h4-15,23H,3H2,1-2H3
InChIKeyRCEJIMXVUWHGFP-UHFFFAOYSA-N
XLogP5.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.48
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[1-(3-fluorophenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide
CID 175305884
N-(2-benzoyl-5-chlorophenyl)-4-methylbenzenesulfonamide
CID 19133397
4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617
N-(2-ethenyl-5-methylphenyl)-4-methylbenzenesulfonamide
CID 163208817
4-methyl-N-(1-phenylethenyl)benzenesulfonamide
CID 11471299
4-methyl-N-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]diazenyl]phenyl]benzenesulfonamide
CID 102274853
2-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 169370457
4-methyl-N-[4-methyl-2-(4-methylbenzoyl)phenyl]benzenesulfonamide
CID 13139068
N-[2-[1-(2-methylphenyl)ethenyl]phenyl]benzenesulfonamide
CID 170558125
N-[2-(3,3-difluoro-2-phenylprop-2-enyl)phenyl]-4-methylbenzenesulfonamide
CID 11718265
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
N-[4-chloro-2-(N-methoxy-C-phenylcarbonimidoyl)phenyl]-4-methylbenzenesulfonamide
CID 72554014

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[5-methyl-2-(1-phenylethenyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[5-methyl-2-(1-phenylethenyl)phenyl]benzenesulfonamide (CID 175305873) is 4-methyl-N-[5-methyl-2-(1-phenylethenyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[5-methyl-2-(1-phenylethenyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[5-methyl-2-(1-phenylethenyl)phenyl]benzenesulfonamide is C=C(c1ccccc1)c1ccc(C)cc1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-[5-methyl-2-(1-phenylethenyl)phenyl]benzenesulfonamide?
The InChIKey is RCEJIMXVUWHGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2S/c1-16-9-12-20(13-10-16)26(24,25)23-22-15-17(2)11-14-21(22)18(3)19-7-5-4-6-8-19/h4-15,23H,3H2,1-2H3.
What are the key properties of 4-methyl-N-[5-methyl-2-(1-phenylethenyl)phenyl]benzenesulfonamide?
4-methyl-N-[5-methyl-2-(1-phenylethenyl)phenyl]benzenesulfonamide has a molecular weight of 363.48 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[5-methyl-2-(1-phenylethenyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 175305873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).