4-bromo-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide

C16H12BrN3O3S — CID 31912208

IUPAC4-bromo-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(Oc2cnccn2)c1)c1ccc(Br)cc1
InChIInChI=1S/C16H12BrN3O3S/c17-12-4-6-15(7-5-12)24(21,22)20-13-2-1-3-14(10-13)23-16-11-18-8-9-19-16/h1-11,20H
InChIKeyGLYXOOXEFNLFFY-UHFFFAOYSA-N
MW406.26 g/mol
LogP3.83
Rot. Bonds5

About 4-bromo-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide

4-bromo-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide (PubChem CID 31912208) has the molecular formula C16H12BrN3O3S and a molecular weight of 406.26 g/mol. Its IUPAC name is 4-bromo-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide
PubChem CID31912208
Molecular FormulaC16H12BrN3O3S
Molecular Weight406.26 g/mol
Exact Mass404.98
IUPAC Name4-bromo-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(Oc2cnccn2)c1)c1ccc(Br)cc1
InChIInChI=1S/C16H12BrN3O3S/c17-12-4-6-15(7-5-12)24(21,22)20-13-2-1-3-14(10-13)23-16-11-18-8-9-19-16/h1-11,20H
InChIKeyGLYXOOXEFNLFFY-UHFFFAOYSA-N
XLogP3.83
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.26
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-difluoro-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide
CID 31912152
(E)-3-[4-[(3-pyrazin-2-yloxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 39836222
4-(3-methylbutyl)-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide
CID 55676349
N-(3-pyrazin-2-yloxyphenyl)-3,4-dihydronaphthalene-2-sulfonamide
CID 46437368
dimethyl 2-[(3-pyrazin-2-yloxyphenyl)sulfamoyl]benzene-1,4-dicarboxylate
CID 31912381
4-bromo-N-pyrazin-2-ylbenzenesulfonamide
CID 22772873
2-oxo-N-(3-pyrazin-2-yloxyphenyl)-1H-benzo[cd]indole-6-sulfonamide
CID 55896214
4-methyl-N-(3-phenoxyphenyl)benzenesulfonamide
CID 169370090
2-oxo-N-(3-pyridin-2-yloxyphenyl)-3H-1,3-benzoxazole-5-sulfonamide
CID 146024988
4-bromo-N-[3-(1,3-oxazol-5-yl)phenyl]benzenesulfonamide
CID 55826465
4-fluoro-N-(3-quinolin-8-yloxyphenyl)benzenesulfonamide
CID 14127632
4-(azepan-1-ylsulfonyl)-2-nitro-N-(3-pyrazin-2-yloxyphenyl)aniline
CID 31980675

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide (CID 31912208) is 4-bromo-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide is O=S(=O)(Nc1cccc(Oc2cnccn2)c1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide?
The InChIKey is GLYXOOXEFNLFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O3S/c17-12-4-6-15(7-5-12)24(21,22)20-13-2-1-3-14(10-13)23-16-11-18-8-9-19-16/h1-11,20H.
What are the key properties of 4-bromo-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide?
4-bromo-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide has a molecular weight of 406.26 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide is sourced from PubChem (CID 31912208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).