4-bromo-N-(2-chloro-5-methoxyphenyl)-3-fluorobenzenesulfonamide

C13H10BrClFNO3S — CID 103710408

IUPAC4-bromo-N-(2-chloro-5-methoxyphenyl)-3-fluorobenzenesulfonamide
SMILESCOc1ccc(Cl)c(NS(=O)(=O)c2ccc(Br)c(F)c2)c1
InChIInChI=1S/C13H10BrClFNO3S/c1-20-8-2-5-11(15)13(6-8)17-21(18,19)9-3-4-10(14)12(16)7-9/h2-7,17H,1H3
InChIKeyMRTPUBRYOWEDRY-UHFFFAOYSA-N
MW394.65 g/mol
LogP4.05
Rot. Bonds4

About 4-bromo-N-(2-chloro-5-methoxyphenyl)-3-fluorobenzenesulfonamide

4-bromo-N-(2-chloro-5-methoxyphenyl)-3-fluorobenzenesulfonamide (PubChem CID 103710408) has the molecular formula C13H10BrClFNO3S and a molecular weight of 394.65 g/mol. Its IUPAC name is 4-bromo-N-(2-chloro-5-methoxyphenyl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2-chloro-5-methoxyphenyl)-3-fluorobenzenesulfonamide
PubChem CID103710408
Molecular FormulaC13H10BrClFNO3S
Molecular Weight394.65 g/mol
Exact Mass392.92
IUPAC Name4-bromo-N-(2-chloro-5-methoxyphenyl)-3-fluorobenzenesulfonamide
SMILESCOc1ccc(Cl)c(NS(=O)(=O)c2ccc(Br)c(F)c2)c1
InChIInChI=1S/C13H10BrClFNO3S/c1-20-8-2-5-11(15)13(6-8)17-21(18,19)9-3-4-10(14)12(16)7-9/h2-7,17H,1H3
InChIKeyMRTPUBRYOWEDRY-UHFFFAOYSA-N
XLogP4.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.65
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(2,5-dichlorophenyl)-3-fluorobenzenesulfonamide
CID 97161953
3-chloro-N-(2-chloro-5-methoxyphenyl)benzenesulfonamide
CID 47419004
N-(2,5-dichlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 19109274
N-(2-chloro-5-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 47408334
4-bromo-N-(4-chloro-2-methylphenyl)-3-fluorobenzenesulfonamide
CID 97161969
N-(2-chloro-5-methylsulfonylphenyl)-4-methoxybenzenesulfonamide
CID 2477654
4-chloro-N-(2-chloro-4-methoxyphenyl)benzenesulfonamide
CID 4994976
3-fluoro-4-methoxy-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 112811750
2-chloro-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892982
3,4-difluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide
CID 102695953
4-bromo-3-fluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 97161961
4-bromo-N-(2,4-dimethylphenyl)-3-fluorobenzenesulfonamide
CID 97161995

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-chloro-5-methoxyphenyl)-3-fluorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-(2-chloro-5-methoxyphenyl)-3-fluorobenzenesulfonamide (CID 103710408) is 4-bromo-N-(2-chloro-5-methoxyphenyl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2-chloro-5-methoxyphenyl)-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2-chloro-5-methoxyphenyl)-3-fluorobenzenesulfonamide is COc1ccc(Cl)c(NS(=O)(=O)c2ccc(Br)c(F)c2)c1.
What is the InChIKey of 4-bromo-N-(2-chloro-5-methoxyphenyl)-3-fluorobenzenesulfonamide?
The InChIKey is MRTPUBRYOWEDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClFNO3S/c1-20-8-2-5-11(15)13(6-8)17-21(18,19)9-3-4-10(14)12(16)7-9/h2-7,17H,1H3.
What are the key properties of 4-bromo-N-(2-chloro-5-methoxyphenyl)-3-fluorobenzenesulfonamide?
4-bromo-N-(2-chloro-5-methoxyphenyl)-3-fluorobenzenesulfonamide has a molecular weight of 394.65 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-chloro-5-methoxyphenyl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 103710408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).