4-bromo-N-(3,5-dimethoxyphenyl)-2-fluorobenzenesulfonamide

C14H13BrFNO4S — CID 98000872

IUPAC4-bromo-N-(3,5-dimethoxyphenyl)-2-fluorobenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(Br)cc2F)cc(OC)c1
InChIInChI=1S/C14H13BrFNO4S/c1-20-11-6-10(7-12(8-11)21-2)17-22(18,19)14-4-3-9(15)5-13(14)16/h3-8,17H,1-2H3
InChIKeyISDUMJZTTOHVGT-UHFFFAOYSA-N
MW390.23 g/mol
LogP3.41
Rot. Bonds5

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

4-bromo-N-(3,5-dimethoxyphenyl)-2-fluorobenzenesulfonamide (PubChem CID 98000872) has the molecular formula C14H13BrFNO4S and a molecular weight of 390.23 g/mol. Its IUPAC name is 4-bromo-N-(3,5-dimethoxyphenyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(3,5-dimethoxyphenyl)-2-fluorobenzenesulfonamide
PubChem CID98000872
Molecular FormulaC14H13BrFNO4S
Molecular Weight390.23 g/mol
Exact Mass388.97
IUPAC Name4-bromo-N-(3,5-dimethoxyphenyl)-2-fluorobenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(Br)cc2F)cc(OC)c1
InChIInChI=1S/C14H13BrFNO4S/c1-20-11-6-10(7-12(8-11)21-2)17-22(18,19)14-4-3-9(15)5-13(14)16/h3-8,17H,1-2H3
InChIKeyISDUMJZTTOHVGT-UHFFFAOYSA-N
XLogP3.41
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.23
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-chloro-N-(3,5-dimethoxyphenyl)benzenesulfonamide
CID 7939100
4-bromo-N-(3,5-dimethoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 3740454
4-bromo-2-fluoro-N-(2-hydroxy-6-methoxyphenyl)benzenesulfonamide
CID 114764817
4-bromo-2-fluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 116528754
4-bromo-N-(3,5-dichloro-4-hydroxyphenyl)-2-fluorobenzenesulfonamide
CID 116527677
4-bromo-N-[4-(dimethylamino)phenyl]-2-fluorobenzenesulfonamide
CID 116528159
4-bromo-N-(2,6-difluorophenyl)-2-fluorobenzenesulfonamide
CID 116528169
4-bromo-2-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 53240323
N-(4-bromo-2-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 8500760
4-bromo-N-(2,5-difluorophenyl)-2-fluorobenzenesulfonamide
CID 97455684
4-bromo-N-(4-chloro-3-methylphenyl)-2-fluorobenzenesulfonamide
CID 97455698
4-bromo-N-(6-chloro-3-pyridinyl)-2-fluorobenzenesulfonamide
CID 116528770

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3,5-dimethoxyphenyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-(3,5-dimethoxyphenyl)-2-fluorobenzenesulfonamide (CID 98000872) is 4-bromo-N-(3,5-dimethoxyphenyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(3,5-dimethoxyphenyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(3,5-dimethoxyphenyl)-2-fluorobenzenesulfonamide is COc1cc(NS(=O)(=O)c2ccc(Br)cc2F)cc(OC)c1.
What is the InChIKey of 4-bromo-N-(3,5-dimethoxyphenyl)-2-fluorobenzenesulfonamide?
The InChIKey is ISDUMJZTTOHVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO4S/c1-20-11-6-10(7-12(8-11)21-2)17-22(18,19)14-4-3-9(15)5-13(14)16/h3-8,17H,1-2H3.
What are the key properties of 4-bromo-N-(3,5-dimethoxyphenyl)-2-fluorobenzenesulfonamide?
4-bromo-N-(3,5-dimethoxyphenyl)-2-fluorobenzenesulfonamide has a molecular weight of 390.23 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3,5-dimethoxyphenyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 98000872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).