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

C16H17BrClNO4S — CID 171699229

IUPAC4-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cc(C)c(Br)cc2C)c(OC)cc1Cl
InChIInChI=1S/C16H17BrClNO4S/c1-9-6-16(10(2)5-11(9)17)24(20,21)19-13-8-14(22-3)12(18)7-15(13)23-4/h5-8,19H,1-4H3
InChIKeyJHINXUIPAKNZJX-UHFFFAOYSA-N
MW434.74 g/mol
LogP4.54
Rot. Bonds5

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

4-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide (PubChem CID 171699229) has the molecular formula C16H17BrClNO4S and a molecular weight of 434.74 g/mol. Its IUPAC name is 4-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide
PubChem CID171699229
Molecular FormulaC16H17BrClNO4S
Molecular Weight434.74 g/mol
Exact Mass432.98
IUPAC Name4-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cc(C)c(Br)cc2C)c(OC)cc1Cl
InChIInChI=1S/C16H17BrClNO4S/c1-9-6-16(10(2)5-11(9)17)24(20,21)19-13-8-14(22-3)12(18)7-15(13)23-4/h5-8,19H,1-4H3
InChIKeyJHINXUIPAKNZJX-UHFFFAOYSA-N
XLogP4.54
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.74
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2-methylbenzenesulfonamide
CID 27993653
N-(4-chloro-2,5-dimethoxyphenyl)-4-ethoxy-2,5-dimethylbenzenesulfonamide
CID 1256461
N-(4-chloro-2,5-dimethoxyphenyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 16644666
2,5-dichloro-N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
CID 1005068
5-tert-butyl-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylbenzenesulfonamide
CID 7938313
4-chloro-N-(2,4-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 3783398
N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
CID 710996
N-(2-bromophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 100729224
4-chloro-2,5-dimethoxy-N-(2-methylphenyl)benzenesulfonamide
CID 163343299
2,5-dichloro-4-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 1258973
5-tert-butyl-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylbenzenesulfonamide
CID 7940782
2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-sulfonamide
CID 24621377

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide (CID 171699229) is 4-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide is COc1cc(NS(=O)(=O)c2cc(C)c(Br)cc2C)c(OC)cc1Cl.
What is the InChIKey of 4-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is JHINXUIPAKNZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO4S/c1-9-6-16(10(2)5-11(9)17)24(20,21)19-13-8-14(22-3)12(18)7-15(13)23-4/h5-8,19H,1-4H3.
What are the key properties of 4-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide?
4-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 434.74 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 171699229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).