N-(4-bromo-2-oxochromen-6-yl)-3-chloro-2-fluorobenzenesulfonamide

C15H8BrClFNO4S — CID 178073852

IUPACN-(4-bromo-2-oxochromen-6-yl)-3-chloro-2-fluorobenzenesulfonamide
SMILESO=c1cc(Br)c2cc(NS(=O)(=O)c3cccc(Cl)c3F)ccc2o1
InChIInChI=1S/C15H8BrClFNO4S/c16-10-7-14(20)23-12-5-4-8(6-9(10)12)19-24(21,22)13-3-1-2-11(17)15(13)18/h1-7,19H
InChIKeyLKYFRIXHWKYDGE-UHFFFAOYSA-N
MW432.65 g/mol
LogP4.15
Rot. Bonds3

About N-(4-bromo-2-oxochromen-6-yl)-3-chloro-2-fluorobenzenesulfonamide

N-(4-bromo-2-oxochromen-6-yl)-3-chloro-2-fluorobenzenesulfonamide (PubChem CID 178073852) has the molecular formula C15H8BrClFNO4S and a molecular weight of 432.65 g/mol. Its IUPAC name is N-(4-bromo-2-oxochromen-6-yl)-3-chloro-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-oxochromen-6-yl)-3-chloro-2-fluorobenzenesulfonamide
PubChem CID178073852
Molecular FormulaC15H8BrClFNO4S
Molecular Weight432.65 g/mol
Exact Mass430.90
IUPAC NameN-(4-bromo-2-oxochromen-6-yl)-3-chloro-2-fluorobenzenesulfonamide
SMILESO=c1cc(Br)c2cc(NS(=O)(=O)c3cccc(Cl)c3F)ccc2o1
InChIInChI=1S/C15H8BrClFNO4S/c16-10-7-14(20)23-12-5-4-8(6-9(10)12)19-24(21,22)13-3-1-2-11(17)15(13)18/h1-7,19H
InChIKeyLKYFRIXHWKYDGE-UHFFFAOYSA-N
XLogP4.15
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.65
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-oxochromen-6-yl)-3-chloro-2-fluorobenzenesulfonamide?
The IUPAC name of N-(4-bromo-2-oxochromen-6-yl)-3-chloro-2-fluorobenzenesulfonamide (CID 178073852) is N-(4-bromo-2-oxochromen-6-yl)-3-chloro-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-2-oxochromen-6-yl)-3-chloro-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(4-bromo-2-oxochromen-6-yl)-3-chloro-2-fluorobenzenesulfonamide is O=c1cc(Br)c2cc(NS(=O)(=O)c3cccc(Cl)c3F)ccc2o1.
What is the InChIKey of N-(4-bromo-2-oxochromen-6-yl)-3-chloro-2-fluorobenzenesulfonamide?
The InChIKey is LKYFRIXHWKYDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrClFNO4S/c16-10-7-14(20)23-12-5-4-8(6-9(10)12)19-24(21,22)13-3-1-2-11(17)15(13)18/h1-7,19H.
What are the key properties of N-(4-bromo-2-oxochromen-6-yl)-3-chloro-2-fluorobenzenesulfonamide?
N-(4-bromo-2-oxochromen-6-yl)-3-chloro-2-fluorobenzenesulfonamide has a molecular weight of 432.65 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-oxochromen-6-yl)-3-chloro-2-fluorobenzenesulfonamide is sourced from PubChem (CID 178073852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).