N-(4-bromo-2-fluorophenyl)-3-methoxybenzenesulfonamide

C13H11BrFNO3S — CID 983862

IUPACN-(4-bromo-2-fluorophenyl)-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2ccc(Br)cc2F)c1
InChIInChI=1S/C13H11BrFNO3S/c1-19-10-3-2-4-11(8-10)20(17,18)16-13-6-5-9(14)7-12(13)15/h2-8,16H,1H3
InChIKeyHYZMDORDCATVTC-UHFFFAOYSA-N
MW360.20 g/mol
LogP3.40
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-3-methoxybenzenesulfonamide

N-(4-bromo-2-fluorophenyl)-3-methoxybenzenesulfonamide (PubChem CID 983862) has the molecular formula C13H11BrFNO3S and a molecular weight of 360.20 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-3-methoxybenzenesulfonamide
PubChem CID983862
Molecular FormulaC13H11BrFNO3S
Molecular Weight360.20 g/mol
Exact Mass358.96
IUPAC NameN-(4-bromo-2-fluorophenyl)-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2ccc(Br)cc2F)c1
InChIInChI=1S/C13H11BrFNO3S/c1-19-10-3-2-4-11(8-10)20(17,18)16-13-6-5-9(14)7-12(13)15/h2-8,16H,1H3
InChIKeyHYZMDORDCATVTC-UHFFFAOYSA-N
XLogP3.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-3-methoxybenzenesulfonamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-3-methoxybenzenesulfonamide (CID 983862) is N-(4-bromo-2-fluorophenyl)-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-3-methoxybenzenesulfonamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-3-methoxybenzenesulfonamide is COc1cccc(S(=O)(=O)Nc2ccc(Br)cc2F)c1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-3-methoxybenzenesulfonamide?
The InChIKey is HYZMDORDCATVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO3S/c1-19-10-3-2-4-11(8-10)20(17,18)16-13-6-5-9(14)7-12(13)15/h2-8,16H,1H3.
What are the key properties of N-(4-bromo-2-fluorophenyl)-3-methoxybenzenesulfonamide?
N-(4-bromo-2-fluorophenyl)-3-methoxybenzenesulfonamide has a molecular weight of 360.20 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-3-methoxybenzenesulfonamide is sourced from PubChem (CID 983862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).