4-bromo-N-[3-(pyridin-2-ylmethoxy)pyrazin-2-yl]benzenesulfonamide

C16H13BrN4O3S — CID 23076089

IUPAC4-bromo-N-[3-(pyridin-2-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nccnc1OCc1ccccn1)c1ccc(Br)cc1
InChIInChI=1S/C16H13BrN4O3S/c17-12-4-6-14(7-5-12)25(22,23)21-15-16(20-10-9-19-15)24-11-13-3-1-2-8-18-13/h1-10H,11H2,(H,19,21)
InChIKeyHMZHAXBFCOHXPC-UHFFFAOYSA-N
MW421.28 g/mol
LogP3.01
Rot. Bonds6

About 4-bromo-N-[3-(pyridin-2-ylmethoxy)pyrazin-2-yl]benzenesulfonamide

4-bromo-N-[3-(pyridin-2-ylmethoxy)pyrazin-2-yl]benzenesulfonamide (PubChem CID 23076089) has the molecular formula C16H13BrN4O3S and a molecular weight of 421.28 g/mol. Its IUPAC name is 4-bromo-N-[3-(pyridin-2-ylmethoxy)pyrazin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[3-(pyridin-2-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
PubChem CID23076089
Molecular FormulaC16H13BrN4O3S
Molecular Weight421.28 g/mol
Exact Mass419.99
IUPAC Name4-bromo-N-[3-(pyridin-2-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nccnc1OCc1ccccn1)c1ccc(Br)cc1
InChIInChI=1S/C16H13BrN4O3S/c17-12-4-6-14(7-5-12)25(22,23)21-15-16(20-10-9-19-15)24-11-13-3-1-2-8-18-13/h1-10H,11H2,(H,19,21)
InChIKeyHMZHAXBFCOHXPC-UHFFFAOYSA-N
XLogP3.01
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.28
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-N-[3-(pyridin-4-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide
CID 23075921
4-propan-2-yl-N-[3-(pyridin-2-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide
CID 23076249
4-methyl-N-[3-[(4-methylphenyl)methoxy]pyrazin-2-yl]benzenesulfonamide
CID 23075772
N-[3-[(4-ethylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23075876
4-methyl-N-[3-(2-phenoxyethoxy)pyrazin-2-yl]benzenesulfonamide
CID 23075750
4-ethyl-N-[3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
CID 23076176
4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide
CID 170923254
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-4-methylbenzenesulfonamide
CID 52782034
4-[[3-(pyridin-2-ylmethoxy)phenyl]sulfamoyl]benzoic acid
CID 55645126
N-[3-[[3-(4-methoxybutoxy)phenyl]methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23075898
4-[(5-bromo-2-hydroxyphenyl)methylamino]-N-(3-methoxypyrazin-2-yl)benzenesulfonamide
CID 6624904
N-[3-(pyridin-2-ylmethoxy)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 43069660

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(pyridin-2-ylmethoxy)pyrazin-2-yl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[3-(pyridin-2-ylmethoxy)pyrazin-2-yl]benzenesulfonamide (CID 23076089) is 4-bromo-N-[3-(pyridin-2-ylmethoxy)pyrazin-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[3-(pyridin-2-ylmethoxy)pyrazin-2-yl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[3-(pyridin-2-ylmethoxy)pyrazin-2-yl]benzenesulfonamide is O=S(=O)(Nc1nccnc1OCc1ccccn1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[3-(pyridin-2-ylmethoxy)pyrazin-2-yl]benzenesulfonamide?
The InChIKey is HMZHAXBFCOHXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN4O3S/c17-12-4-6-14(7-5-12)25(22,23)21-15-16(20-10-9-19-15)24-11-13-3-1-2-8-18-13/h1-10H,11H2,(H,19,21).
What are the key properties of 4-bromo-N-[3-(pyridin-2-ylmethoxy)pyrazin-2-yl]benzenesulfonamide?
4-bromo-N-[3-(pyridin-2-ylmethoxy)pyrazin-2-yl]benzenesulfonamide has a molecular weight of 421.28 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(pyridin-2-ylmethoxy)pyrazin-2-yl]benzenesulfonamide is sourced from PubChem (CID 23076089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).