N-[5-bromo-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-2,3-dichlorobenzenesulfonamide

C16H11BrCl2N4O3S — CID 10239030

IUPACN-[5-bromo-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-2,3-dichlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ncc(Br)nc1OCc1cccnc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H11BrCl2N4O3S/c17-13-8-21-15(16(22-13)26-9-10-3-2-6-20-7-10)23-27(24,25)12-5-1-4-11(18)14(12)19/h1-8H,9H2,(H,21,23)
InChIKeyKVLXPYVGRRKZQW-UHFFFAOYSA-N
MW490.17 g/mol
LogP4.32
Rot. Bonds6

About N-[5-bromo-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-2,3-dichlorobenzenesulfonamide

N-[5-bromo-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-2,3-dichlorobenzenesulfonamide (PubChem CID 10239030) has the molecular formula C16H11BrCl2N4O3S and a molecular weight of 490.17 g/mol. Its IUPAC name is N-[5-bromo-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-2,3-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-bromo-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-2,3-dichlorobenzenesulfonamide
PubChem CID10239030
Molecular FormulaC16H11BrCl2N4O3S
Molecular Weight490.17 g/mol
Exact Mass487.91
IUPAC NameN-[5-bromo-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-2,3-dichlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ncc(Br)nc1OCc1cccnc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H11BrCl2N4O3S/c17-13-8-21-15(16(22-13)26-9-10-3-2-6-20-7-10)23-27(24,25)12-5-1-4-11(18)14(12)19/h1-8H,9H2,(H,21,23)
InChIKeyKVLXPYVGRRKZQW-UHFFFAOYSA-N
XLogP4.32
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.17
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-2,3-dichlorobenzenesulfonamide?
The IUPAC name of N-[5-bromo-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-2,3-dichlorobenzenesulfonamide (CID 10239030) is N-[5-bromo-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-2,3-dichlorobenzenesulfonamide.
What is the SMILES notation for N-[5-bromo-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-2,3-dichlorobenzenesulfonamide?
The canonical SMILES for N-[5-bromo-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-2,3-dichlorobenzenesulfonamide is O=S(=O)(Nc1ncc(Br)nc1OCc1cccnc1)c1cccc(Cl)c1Cl.
What is the InChIKey of N-[5-bromo-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-2,3-dichlorobenzenesulfonamide?
The InChIKey is KVLXPYVGRRKZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrCl2N4O3S/c17-13-8-21-15(16(22-13)26-9-10-3-2-6-20-7-10)23-27(24,25)12-5-1-4-11(18)14(12)19/h1-8H,9H2,(H,21,23).
What are the key properties of N-[5-bromo-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-2,3-dichlorobenzenesulfonamide?
N-[5-bromo-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-2,3-dichlorobenzenesulfonamide has a molecular weight of 490.17 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-2,3-dichlorobenzenesulfonamide is sourced from PubChem (CID 10239030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).