4-[(2-bromo-5-fluorophenyl)methoxy]-3-chlorobenzenesulfonamide

C13H10BrClFNO3S — CID 43164457

IUPAC4-[(2-bromo-5-fluorophenyl)methoxy]-3-chlorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCc2cc(F)ccc2Br)c(Cl)c1
InChIInChI=1S/C13H10BrClFNO3S/c14-11-3-1-9(16)5-8(11)7-20-13-4-2-10(6-12(13)15)21(17,18)19/h1-6H,7H2,(H2,17,18,19)
InChIKeyMBTPRIVZNQUSER-UHFFFAOYSA-N
MW394.65 g/mol
LogP3.47
Rot. Bonds4

About 4-[(2-bromo-5-fluorophenyl)methoxy]-3-chlorobenzenesulfonamide

4-[(2-bromo-5-fluorophenyl)methoxy]-3-chlorobenzenesulfonamide (PubChem CID 43164457) has the molecular formula C13H10BrClFNO3S and a molecular weight of 394.65 g/mol. Its IUPAC name is 4-[(2-bromo-5-fluorophenyl)methoxy]-3-chlorobenzenesulfonamide.

Molecular Properties

Compound Name4-[(2-bromo-5-fluorophenyl)methoxy]-3-chlorobenzenesulfonamide
PubChem CID43164457
Molecular FormulaC13H10BrClFNO3S
Molecular Weight394.65 g/mol
Exact Mass392.92
IUPAC Name4-[(2-bromo-5-fluorophenyl)methoxy]-3-chlorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCc2cc(F)ccc2Br)c(Cl)c1
InChIInChI=1S/C13H10BrClFNO3S/c14-11-3-1-9(16)5-8(11)7-20-13-4-2-10(6-12(13)15)21(17,18)19/h1-6H,7H2,(H2,17,18,19)
InChIKeyMBTPRIVZNQUSER-UHFFFAOYSA-N
XLogP3.47
TPSA69.39 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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-5-fluorophenyl)methoxy]-3-chlorobenzenesulfonamide?
The IUPAC name of 4-[(2-bromo-5-fluorophenyl)methoxy]-3-chlorobenzenesulfonamide (CID 43164457) is 4-[(2-bromo-5-fluorophenyl)methoxy]-3-chlorobenzenesulfonamide.
What is the SMILES notation for 4-[(2-bromo-5-fluorophenyl)methoxy]-3-chlorobenzenesulfonamide?
The canonical SMILES for 4-[(2-bromo-5-fluorophenyl)methoxy]-3-chlorobenzenesulfonamide is NS(=O)(=O)c1ccc(OCc2cc(F)ccc2Br)c(Cl)c1.
What is the InChIKey of 4-[(2-bromo-5-fluorophenyl)methoxy]-3-chlorobenzenesulfonamide?
The InChIKey is MBTPRIVZNQUSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClFNO3S/c14-11-3-1-9(16)5-8(11)7-20-13-4-2-10(6-12(13)15)21(17,18)19/h1-6H,7H2,(H2,17,18,19).
What are the key properties of 4-[(2-bromo-5-fluorophenyl)methoxy]-3-chlorobenzenesulfonamide?
4-[(2-bromo-5-fluorophenyl)methoxy]-3-chlorobenzenesulfonamide has a molecular weight of 394.65 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-5-fluorophenyl)methoxy]-3-chlorobenzenesulfonamide is sourced from PubChem (CID 43164457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).