3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxybenzenesulfonamide

C15H15BrClNO5S — CID 4820046

IUPAC3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(OC)c(Br)c2)c(OC)cc1Cl
InChIInChI=1S/C15H15BrClNO5S/c1-21-13-5-4-9(6-10(13)16)24(19,20)18-12-8-14(22-2)11(17)7-15(12)23-3/h4-8,18H,1-3H3
InChIKeyONVYNGAAXPIRRB-UHFFFAOYSA-N
MW436.71 g/mol
LogP3.93
Rot. Bonds6

About 3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxybenzenesulfonamide

3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxybenzenesulfonamide (PubChem CID 4820046) has the molecular formula C15H15BrClNO5S and a molecular weight of 436.71 g/mol. Its IUPAC name is 3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxybenzenesulfonamide
PubChem CID4820046
Molecular FormulaC15H15BrClNO5S
Molecular Weight436.71 g/mol
Exact Mass434.95
IUPAC Name3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(OC)c(Br)c2)c(OC)cc1Cl
InChIInChI=1S/C15H15BrClNO5S/c1-21-13-5-4-9(6-10(13)16)24(19,20)18-12-8-14(22-2)11(17)7-15(12)23-3/h4-8,18H,1-3H3
InChIKeyONVYNGAAXPIRRB-UHFFFAOYSA-N
XLogP3.93
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.71
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxybenzenesulfonamide (CID 4820046) is 3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxybenzenesulfonamide is COc1cc(NS(=O)(=O)c2ccc(OC)c(Br)c2)c(OC)cc1Cl.
What is the InChIKey of 3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxybenzenesulfonamide?
The InChIKey is ONVYNGAAXPIRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO5S/c1-21-13-5-4-9(6-10(13)16)24(19,20)18-12-8-14(22-2)11(17)7-15(12)23-3/h4-8,18H,1-3H3.
What are the key properties of 3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxybenzenesulfonamide?
3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxybenzenesulfonamide has a molecular weight of 436.71 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 4820046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).