N-(5-chloro-2,4-dimethoxyphenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide

C19H22ClNO4S — CID 71835226

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide
SMILESCOc1cc(OC)c(NS(=O)(=O)C=Cc2c(C)cc(C)cc2C)cc1Cl
InChIInChI=1S/C19H22ClNO4S/c1-12-8-13(2)15(14(3)9-12)6-7-26(22,23)21-17-10-16(20)18(24-4)11-19(17)25-5/h6-11,21H,1-5H3
InChIKeyUDUJVPSZWNRLBK-UHFFFAOYSA-N
MW395.91 g/mol
LogP4.70
Rot. Bonds6

About N-(5-chloro-2,4-dimethoxyphenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide

N-(5-chloro-2,4-dimethoxyphenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide (PubChem CID 71835226) has the molecular formula C19H22ClNO4S and a molecular weight of 395.91 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide
PubChem CID71835226
Molecular FormulaC19H22ClNO4S
Molecular Weight395.91 g/mol
Exact Mass395.10
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide
SMILESCOc1cc(OC)c(NS(=O)(=O)C=Cc2c(C)cc(C)cc2C)cc1Cl
InChIInChI=1S/C19H22ClNO4S/c1-12-8-13(2)15(14(3)9-12)6-7-26(22,23)21-17-10-16(20)18(24-4)11-19(17)25-5/h6-11,21H,1-5H3
InChIKeyUDUJVPSZWNRLBK-UHFFFAOYSA-N
XLogP4.70
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-chloro-5-(dimethylsulfamoylamino)-2,4-dimethoxybenzene
CID 35767285
5-tert-butyl-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylbenzenesulfonamide
CID 7938313
N-(4-chloro-2,5-dimethoxyphenyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 16644666
N-(3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide
CID 71835207
5-chloro-2,4-dimethoxy-N-methylaniline
CID 28576065
2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoate
CID 2368816
(E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide
CID 84551986
4-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 171699229
N-(5-chloro-2,4-dimethoxyphenyl)-2,4-dimethylbenzamide
CID 925288
N-(5-chloro-2,4-dimethoxyphenyl)-4-(dimethylamino)benzenesulfonamide
CID 167884327
(5-chloro-2,4-dimethoxyphenyl)cyanamide
CID 62483892
5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2-methylbenzenesulfonamide
CID 27993653

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide (CID 71835226) is N-(5-chloro-2,4-dimethoxyphenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide is COc1cc(OC)c(NS(=O)(=O)C=Cc2c(C)cc(C)cc2C)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide?
The InChIKey is UDUJVPSZWNRLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO4S/c1-12-8-13(2)15(14(3)9-12)6-7-26(22,23)21-17-10-16(20)18(24-4)11-19(17)25-5/h6-11,21H,1-5H3.
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide?
N-(5-chloro-2,4-dimethoxyphenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide has a molecular weight of 395.91 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide is sourced from PubChem (CID 71835226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).