4-chloro-N-(2,4-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide

C16H18ClNO4S — CID 3783398

IUPAC4-chloro-N-(2,4-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C)c(Cl)cc2C)c(OC)c1
InChIInChI=1S/C16H18ClNO4S/c1-10-8-16(11(2)7-13(10)17)23(19,20)18-14-6-5-12(21-3)9-15(14)22-4/h5-9,18H,1-4H3
InChIKeyPPSPEPUVNHUGEU-UHFFFAOYSA-N
MW355.84 g/mol
LogP3.77
Rot. Bonds5

About 4-chloro-N-(2,4-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide

4-chloro-N-(2,4-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide (PubChem CID 3783398) has the molecular formula C16H18ClNO4S and a molecular weight of 355.84 g/mol. Its IUPAC name is 4-chloro-N-(2,4-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2,4-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide
PubChem CID3783398
Molecular FormulaC16H18ClNO4S
Molecular Weight355.84 g/mol
Exact Mass355.06
IUPAC Name4-chloro-N-(2,4-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C)c(Cl)cc2C)c(OC)c1
InChIInChI=1S/C16H18ClNO4S/c1-10-8-16(11(2)7-13(10)17)23(19,20)18-14-6-5-12(21-3)9-15(14)22-4/h5-9,18H,1-4H3
InChIKeyPPSPEPUVNHUGEU-UHFFFAOYSA-N
XLogP3.77
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.84
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(4-methoxy-2-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 22202576
N-(2,4-dimethoxyphenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113098643
4-bromo-2-chloro-N-(2,4-dimethoxyphenyl)benzenesulfonamide
CID 7514398
5-chloro-N-(2,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide
CID 110759387
N-(5-chloro-2-methylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 22775089
5-tert-butyl-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylbenzenesulfonamide
CID 7940782
4-chloro-N-(2-ethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 22774232
4-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 171699229
4-chloro-N-[2-(difluoromethoxy)phenyl]-2,5-dimethylbenzenesulfonamide
CID 22206102
2-amino-N-(2,4-dimethoxyphenyl)benzenesulfonamide
CID 28590092
N-(4-bromo-2-chlorophenyl)-2,5-dimethoxybenzenesulfonamide
CID 7938341
3-[(2,4-dimethoxyphenyl)sulfamoyl]-4,5-dimethylbenzoate
CID 9236181

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,4-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-(2,4-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide (CID 3783398) is 4-chloro-N-(2,4-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2,4-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2,4-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide is COc1ccc(NS(=O)(=O)c2cc(C)c(Cl)cc2C)c(OC)c1.
What is the InChIKey of 4-chloro-N-(2,4-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is PPSPEPUVNHUGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO4S/c1-10-8-16(11(2)7-13(10)17)23(19,20)18-14-6-5-12(21-3)9-15(14)22-4/h5-9,18H,1-4H3.
What are the key properties of 4-chloro-N-(2,4-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide?
4-chloro-N-(2,4-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 355.84 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,4-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 3783398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).