3,4-difluoro-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide

C16H11F2N3O3S — CID 31912152

IUPAC3,4-difluoro-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(Oc2cnccn2)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H11F2N3O3S/c17-14-5-4-13(9-15(14)18)25(22,23)21-11-2-1-3-12(8-11)24-16-10-19-6-7-20-16/h1-10,21H
InChIKeyBUMTUMSORNDXTH-UHFFFAOYSA-N
MW363.35 g/mol
LogP3.35
Rot. Bonds5

About 3,4-difluoro-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide

3,4-difluoro-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide (PubChem CID 31912152) has the molecular formula C16H11F2N3O3S and a molecular weight of 363.35 g/mol. Its IUPAC name is 3,4-difluoro-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide
PubChem CID31912152
Molecular FormulaC16H11F2N3O3S
Molecular Weight363.35 g/mol
Exact Mass363.05
IUPAC Name3,4-difluoro-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(Oc2cnccn2)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H11F2N3O3S/c17-14-5-4-13(9-15(14)18)25(22,23)21-11-2-1-3-12(8-11)24-16-10-19-6-7-20-16/h1-10,21H
InChIKeyBUMTUMSORNDXTH-UHFFFAOYSA-N
XLogP3.35
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide
CID 31912208
(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-cyclopentyloxyphenyl)-3,4-difluorobenzenesulfonamide
CID 35547755
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
3,4-difluoro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzenesulfonamide
CID 91968436
N-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 7788321
N-(3-aminophenyl)-3,4-difluorobenzenesulfonamide
CID 43167024
2-oxo-N-(3-pyrazin-2-yloxyphenyl)-1H-benzo[cd]indole-6-sulfonamide
CID 55896214
2-oxo-N-(3-pyridin-2-yloxyphenyl)-3H-1,3-benzoxazole-5-sulfonamide
CID 146024988
4-fluoro-N-(3-quinolin-8-yloxyphenyl)benzenesulfonamide
CID 14127632

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide (CID 31912152) is 3,4-difluoro-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide is O=S(=O)(Nc1cccc(Oc2cnccn2)c1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide?
The InChIKey is BUMTUMSORNDXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3O3S/c17-14-5-4-13(9-15(14)18)25(22,23)21-11-2-1-3-12(8-11)24-16-10-19-6-7-20-16/h1-10,21H.
What are the key properties of 3,4-difluoro-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide?
3,4-difluoro-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide has a molecular weight of 363.35 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide is sourced from PubChem (CID 31912152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).