N-(5-bromo-2-methoxyphenyl)-3,4-dichlorobenzenesulfonamide

C13H10BrCl2NO3S — CID 63530508

IUPACN-(5-bromo-2-methoxyphenyl)-3,4-dichlorobenzenesulfonamide
SMILESCOc1ccc(Br)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H10BrCl2NO3S/c1-20-13-5-2-8(14)6-12(13)17-21(18,19)9-3-4-10(15)11(16)7-9/h2-7,17H,1H3
InChIKeyLMYNEDCHRLLETA-UHFFFAOYSA-N
MW411.10 g/mol
LogP4.57
Rot. Bonds4

About N-(5-bromo-2-methoxyphenyl)-3,4-dichlorobenzenesulfonamide

N-(5-bromo-2-methoxyphenyl)-3,4-dichlorobenzenesulfonamide (PubChem CID 63530508) has the molecular formula C13H10BrCl2NO3S and a molecular weight of 411.10 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)-3,4-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)-3,4-dichlorobenzenesulfonamide
PubChem CID63530508
Molecular FormulaC13H10BrCl2NO3S
Molecular Weight411.10 g/mol
Exact Mass408.89
IUPAC NameN-(5-bromo-2-methoxyphenyl)-3,4-dichlorobenzenesulfonamide
SMILESCOc1ccc(Br)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H10BrCl2NO3S/c1-20-13-5-2-8(14)6-12(13)17-21(18,19)9-3-4-10(15)11(16)7-9/h2-7,17H,1H3
InChIKeyLMYNEDCHRLLETA-UHFFFAOYSA-N
XLogP4.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.10
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 5202468
N-(5-bromo-2-methoxyphenyl)-3-methylbenzenesulfonamide
CID 47310957
4-amino-N-(5-bromo-2-methoxyphenyl)-3-fluorobenzenesulfonamide
CID 82845895
3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 961849
4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide
CID 60641377
N-(2-amino-4-bromophenyl)-3,4-dichlorobenzenesulfonamide
CID 43344070
3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxy-N-phenylbenzamide
CID 18626240
3-(benzenesulfonamido)-N-(4-bromophenyl)-4-methoxybenzenesulfonamide
CID 26982440
3-bromo-4-methoxy-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 46772852
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 7354133
N-[2-chloro-4-[(5-chloro-2-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 25042468
N-(5-tert-butyl-2-methoxyphenyl)-4-chlorobenzenesulfonamide
CID 7940797

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)-3,4-dichlorobenzenesulfonamide?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)-3,4-dichlorobenzenesulfonamide (CID 63530508) is N-(5-bromo-2-methoxyphenyl)-3,4-dichlorobenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)-3,4-dichlorobenzenesulfonamide?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)-3,4-dichlorobenzenesulfonamide is COc1ccc(Br)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)-3,4-dichlorobenzenesulfonamide?
The InChIKey is LMYNEDCHRLLETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2NO3S/c1-20-13-5-2-8(14)6-12(13)17-21(18,19)9-3-4-10(15)11(16)7-9/h2-7,17H,1H3.
What are the key properties of N-(5-bromo-2-methoxyphenyl)-3,4-dichlorobenzenesulfonamide?
N-(5-bromo-2-methoxyphenyl)-3,4-dichlorobenzenesulfonamide has a molecular weight of 411.10 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)-3,4-dichlorobenzenesulfonamide is sourced from PubChem (CID 63530508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).