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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Related Compounds

N-[5-bromo-3-(thiophen-3-ylmethoxy)pyrazin-2-yl]-2,3-dichlorobenzenesulfonamide
CID 59168194
2,3-dichloro-N-[5-chloro-3-[(6-methoxy-3-pyridinyl)methoxy]pyrazin-2-yl]benzenesulfonamide
CID 10288760
3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)pyrido[3,4-b]pyrazin-2-yl]benzenesulfonamide
CID 23122881
3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyrazin-2-yl]benzenesulfonamide
CID 23122769
3-chloro-2-methyl-N-[2-(pyridin-3-ylmethoxy)thieno[2,3-b]pyrazin-3-yl]benzenesulfonamide
CID 23122658
N-[5-bromo-3-[(Z)-4-methoxy-2-methylbut-3-enoxy]pyrazin-2-yl]-2,3-dichlorobenzenesulfonamide;ethane
CID 142264030
3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)-2-pyridinyl]benzenesulfonamide
CID 57493723
N-(5-bromo-3-phenylmethoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 10791888
CID 88884945
CID 88884945
3-chloro-2-methyl-N-[5-(pyridin-3-ylmethoxy)imidazo[1,2-a]pyrazin-6-yl]benzenesulfonamide
CID 23122763
2,3-dichloro-N-(3-methoxy-5-methylsulfonylpyrazin-2-yl)benzenesulfonamide
CID 59168213
N-(5-bromo-3-methoxypyrazin-2-yl)-2-cyanobenzenesulfonamide;2,3-dichloro-N-[3-[[5-(methylaminomethyl)furan-2-yl]methoxy]pyrazin-2-yl]benzenesulfonamide
CID 172750895

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).