N-(3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide

C18H21NO2S — CID 71835207

IUPACN-(3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide
SMILESCc1cccc(NS(=O)(=O)C=Cc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C18H21NO2S/c1-13-6-5-7-17(12-13)19-22(20,21)9-8-18-15(3)10-14(2)11-16(18)4/h5-12,19H,1-4H3
InChIKeySHEDQWGHIMHMRB-UHFFFAOYSA-N
MW315.44 g/mol
LogP4.33
Rot. Bonds4

About N-(3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide

N-(3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide (PubChem CID 71835207) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide
PubChem CID71835207
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC NameN-(3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide
SMILESCc1cccc(NS(=O)(=O)C=Cc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C18H21NO2S/c1-13-6-5-7-17(12-13)19-22(20,21)9-8-18-15(3)10-14(2)11-16(18)4/h5-12,19H,1-4H3
InChIKeySHEDQWGHIMHMRB-UHFFFAOYSA-N
XLogP4.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-N-(3-bromophenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide
CID 90481104
N-(2,6-dimethylphenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide
CID 71835205
(E)-N-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide
CID 90481095
N-(3-methylphenyl)ethenesulfonamide
CID 58724758
(E)-N-naphthalen-1-yl-2-(2,4,6-trimethylphenyl)ethenesulfonamide
CID 90481118
(E)-N-pyridin-2-yl-2-(2,4,6-trimethylphenyl)ethenesulfonamide
CID 97465028
(3-methylphenyl)sulfamic acid
CID 10307955
(E)-2-(4-methylphenyl)-N-(3-methylsulfanylphenyl)ethenesulfonamide
CID 90481144
3-[2-(2-chlorophenyl)ethenylsulfonylamino]-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 72685051
N-(3-ethynylphenyl)-2-(4-methylphenyl)ethenesulfonamide
CID 71890358
N-(3-methylphenyl)-3-[3-[(3-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 3091379
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide?
The IUPAC name of N-(3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide (CID 71835207) is N-(3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide.
What is the SMILES notation for N-(3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide?
The canonical SMILES for N-(3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide is Cc1cccc(NS(=O)(=O)C=Cc2c(C)cc(C)cc2C)c1.
What is the InChIKey of N-(3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide?
The InChIKey is SHEDQWGHIMHMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-13-6-5-7-17(12-13)19-22(20,21)9-8-18-15(3)10-14(2)11-16(18)4/h5-12,19H,1-4H3.
What are the key properties of N-(3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide?
N-(3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide has a molecular weight of 315.44 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide is sourced from PubChem (CID 71835207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).