N-[2-(pyrazine-2-carbonyl)phenyl]benzenesulfonamide

C17H13N3O3S — CID 59788574

IUPACN-[2-(pyrazine-2-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(c1cnccn1)c1ccccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H13N3O3S/c21-17(16-12-18-10-11-19-16)14-8-4-5-9-15(14)20-24(22,23)13-6-2-1-3-7-13/h1-12,20H
InChIKeyUJTQWLDGRKNEJF-UHFFFAOYSA-N
MW339.38 g/mol
LogP2.51
Rot. Bonds5

About N-[2-(pyrazine-2-carbonyl)phenyl]benzenesulfonamide

N-[2-(pyrazine-2-carbonyl)phenyl]benzenesulfonamide (PubChem CID 59788574) has the molecular formula C17H13N3O3S and a molecular weight of 339.38 g/mol. Its IUPAC name is N-[2-(pyrazine-2-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(pyrazine-2-carbonyl)phenyl]benzenesulfonamide
PubChem CID59788574
Molecular FormulaC17H13N3O3S
Molecular Weight339.38 g/mol
Exact Mass339.07
IUPAC NameN-[2-(pyrazine-2-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(c1cnccn1)c1ccccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H13N3O3S/c21-17(16-12-18-10-11-19-16)14-8-4-5-9-15(14)20-24(22,23)13-6-2-1-3-7-13/h1-12,20H
InChIKeyUJTQWLDGRKNEJF-UHFFFAOYSA-N
XLogP2.51
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1,3-oxazole-4-carbonyl)phenyl]benzenesulfonamide
CID 59788779
N-[2-(1H-pyrazole-5-carbonyl)phenyl]benzenesulfonamide
CID 134250666
(2,3-difluorophenyl)-pyrazin-2-ylmethanone
CID 63987968
N-[2-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]benzenesulfonamide
CID 58883559
2-[(4-carboxyphenyl)sulfonylamino]benzoic acid
CID 763907
4-(benzenesulfonamido)thiophene-3-carboxylic acid
CID 70120734
N-[2-(5-fluoropyridine-2-carbonyl)phenyl]-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 69308632
N-[2-(1,4-diazacyclohepta-2,4,6,7-tetraene-2-carbonyl)phenyl]benzenesulfonamide
CID 134250635
N-[2-(1,2,3,4-tetrahydroisoquinoline-5-carbonyl)phenyl]benzenesulfonamide
CID 70880021
N-[2-[1-(2-methylphenyl)ethenyl]phenyl]benzenesulfonamide
CID 170558125
N-(2-benzoylphenyl)-4-tert-butylbenzenesulfonamide
CID 10883729
2-(benzenesulfonamido)-N-cycloheptylbenzamide
CID 126412627

Frequently Asked Questions

What is the IUPAC name of N-[2-(pyrazine-2-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[2-(pyrazine-2-carbonyl)phenyl]benzenesulfonamide (CID 59788574) is N-[2-(pyrazine-2-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(pyrazine-2-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[2-(pyrazine-2-carbonyl)phenyl]benzenesulfonamide is O=C(c1cnccn1)c1ccccc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(pyrazine-2-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is UJTQWLDGRKNEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3S/c21-17(16-12-18-10-11-19-16)14-8-4-5-9-15(14)20-24(22,23)13-6-2-1-3-7-13/h1-12,20H.
What are the key properties of N-[2-(pyrazine-2-carbonyl)phenyl]benzenesulfonamide?
N-[2-(pyrazine-2-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 339.38 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(pyrazine-2-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 59788574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).