5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2-methylbenzenesulfonamide

C15H15BrClNO4S — CID 27993653

IUPAC5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2-methylbenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cc(Br)ccc2C)c(OC)cc1Cl
InChIInChI=1S/C15H15BrClNO4S/c1-9-4-5-10(16)6-15(9)23(19,20)18-12-8-13(21-2)11(17)7-14(12)22-3/h4-8,18H,1-3H3
InChIKeyCYCIDMTVINPBPL-UHFFFAOYSA-N
MW420.71 g/mol
LogP4.23
Rot. Bonds5

About 5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2-methylbenzenesulfonamide

5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2-methylbenzenesulfonamide (PubChem CID 27993653) has the molecular formula C15H15BrClNO4S and a molecular weight of 420.71 g/mol. Its IUPAC name is 5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2-methylbenzenesulfonamide
PubChem CID27993653
Molecular FormulaC15H15BrClNO4S
Molecular Weight420.71 g/mol
Exact Mass418.96
IUPAC Name5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2-methylbenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cc(Br)ccc2C)c(OC)cc1Cl
InChIInChI=1S/C15H15BrClNO4S/c1-9-4-5-10(16)6-15(9)23(19,20)18-12-8-13(21-2)11(17)7-14(12)22-3/h4-8,18H,1-3H3
InChIKeyCYCIDMTVINPBPL-UHFFFAOYSA-N
XLogP4.23
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.71
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 171699229
5-tert-butyl-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylbenzenesulfonamide
CID 7938313
5-tert-butyl-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylbenzenesulfonamide
CID 7940782
4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide
CID 60641377
2,5-dichloro-N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
CID 1005068
N-(4-chloro-2,5-dimethoxyphenyl)-4-ethoxy-2,5-dimethylbenzenesulfonamide
CID 1256461
5-bromo-2-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 8512676
N-(4-chloro-2,5-dimethoxyphenyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 16644666
5-bromo-N-(2,5-dichlorophenyl)-2-methylbenzenesulfonamide
CID 60661381
5-bromo-N-(2-chloro-4,6-dimethylphenyl)-2-methoxybenzenesulfonamide
CID 74225212
N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
CID 710996
4-chloro-2,5-dimethoxy-N-(2-methylphenyl)benzenesulfonamide
CID 163343299

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2-methylbenzenesulfonamide (CID 27993653) is 5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2-methylbenzenesulfonamide is COc1cc(NS(=O)(=O)c2cc(Br)ccc2C)c(OC)cc1Cl.
What is the InChIKey of 5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2-methylbenzenesulfonamide?
The InChIKey is CYCIDMTVINPBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO4S/c1-9-4-5-10(16)6-15(9)23(19,20)18-12-8-13(21-2)11(17)7-14(12)22-3/h4-8,18H,1-3H3.
What are the key properties of 5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2-methylbenzenesulfonamide?
5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2-methylbenzenesulfonamide has a molecular weight of 420.71 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 27993653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).