N-(5-bromo-3-phenylmethoxypyrazin-2-yl)-3-chloro-4-fluorobenzenesulfonamide

C17H12BrClFN3O3S — CID 23075739

IUPACN-(5-bromo-3-phenylmethoxypyrazin-2-yl)-3-chloro-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ncc(Br)nc1OCc1ccccc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H12BrClFN3O3S/c18-15-9-21-16(17(22-15)26-10-11-4-2-1-3-5-11)23-27(24,25)12-6-7-14(20)13(19)8-12/h1-9H,10H2,(H,21,23)
InChIKeyMYVIUJKTAXCMKE-UHFFFAOYSA-N
MW472.72 g/mol
LogP4.41
Rot. Bonds6

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

N-(5-bromo-3-phenylmethoxypyrazin-2-yl)-3-chloro-4-fluorobenzenesulfonamide (PubChem CID 23075739) has the molecular formula C17H12BrClFN3O3S and a molecular weight of 472.72 g/mol. Its IUPAC name is N-(5-bromo-3-phenylmethoxypyrazin-2-yl)-3-chloro-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-3-phenylmethoxypyrazin-2-yl)-3-chloro-4-fluorobenzenesulfonamide
PubChem CID23075739
Molecular FormulaC17H12BrClFN3O3S
Molecular Weight472.72 g/mol
Exact Mass470.95
IUPAC NameN-(5-bromo-3-phenylmethoxypyrazin-2-yl)-3-chloro-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ncc(Br)nc1OCc1ccccc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H12BrClFN3O3S/c18-15-9-21-16(17(22-15)26-10-11-4-2-1-3-5-11)23-27(24,25)12-6-7-14(20)13(19)8-12/h1-9H,10H2,(H,21,23)
InChIKeyMYVIUJKTAXCMKE-UHFFFAOYSA-N
XLogP4.41
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.72
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-phenylmethoxypyrazin-2-yl)-3-chloro-4-fluorobenzenesulfonamide?
The IUPAC name of N-(5-bromo-3-phenylmethoxypyrazin-2-yl)-3-chloro-4-fluorobenzenesulfonamide (CID 23075739) is N-(5-bromo-3-phenylmethoxypyrazin-2-yl)-3-chloro-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-3-phenylmethoxypyrazin-2-yl)-3-chloro-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(5-bromo-3-phenylmethoxypyrazin-2-yl)-3-chloro-4-fluorobenzenesulfonamide is O=S(=O)(Nc1ncc(Br)nc1OCc1ccccc1)c1ccc(F)c(Cl)c1.
What is the InChIKey of N-(5-bromo-3-phenylmethoxypyrazin-2-yl)-3-chloro-4-fluorobenzenesulfonamide?
The InChIKey is MYVIUJKTAXCMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrClFN3O3S/c18-15-9-21-16(17(22-15)26-10-11-4-2-1-3-5-11)23-27(24,25)12-6-7-14(20)13(19)8-12/h1-9H,10H2,(H,21,23).
What are the key properties of N-(5-bromo-3-phenylmethoxypyrazin-2-yl)-3-chloro-4-fluorobenzenesulfonamide?
N-(5-bromo-3-phenylmethoxypyrazin-2-yl)-3-chloro-4-fluorobenzenesulfonamide has a molecular weight of 472.72 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-phenylmethoxypyrazin-2-yl)-3-chloro-4-fluorobenzenesulfonamide is sourced from PubChem (CID 23075739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).