5-chloro-N-(3-methylsulfonylphenyl)pyrazine-2-carboxamide

C12H10ClN3O3S — CID 103803477

IUPAC5-chloro-N-(3-methylsulfonylphenyl)pyrazine-2-carboxamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2cnc(Cl)cn2)c1
InChIInChI=1S/C12H10ClN3O3S/c1-20(18,19)9-4-2-3-8(5-9)16-12(17)10-6-15-11(13)7-14-10/h2-7H,1H3,(H,16,17)
InChIKeyVLETUIKPZREOIG-UHFFFAOYSA-N
MW311.75 g/mol
LogP1.79
Rot. Bonds3

About 5-chloro-N-(3-methylsulfonylphenyl)pyrazine-2-carboxamide

5-chloro-N-(3-methylsulfonylphenyl)pyrazine-2-carboxamide (PubChem CID 103803477) has the molecular formula C12H10ClN3O3S and a molecular weight of 311.75 g/mol. Its IUPAC name is 5-chloro-N-(3-methylsulfonylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-methylsulfonylphenyl)pyrazine-2-carboxamide
PubChem CID103803477
Molecular FormulaC12H10ClN3O3S
Molecular Weight311.75 g/mol
Exact Mass311.01
IUPAC Name5-chloro-N-(3-methylsulfonylphenyl)pyrazine-2-carboxamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2cnc(Cl)cn2)c1
InChIInChI=1S/C12H10ClN3O3S/c1-20(18,19)9-4-2-3-8(5-9)16-12(17)10-6-15-11(13)7-14-10/h2-7H,1H3,(H,16,17)
InChIKeyVLETUIKPZREOIG-UHFFFAOYSA-N
XLogP1.79
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.75
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide
CID 9071047
5-amino-N-(3-methylsulfonylphenyl)pyridine-2-carboxamide
CID 81317410
methyl 3-[(5-chloropyrazine-2-carbonyl)amino]benzoate
CID 103817046
N-(3-methylsulfonylphenyl)-2H-triazole-4-carboxamide
CID 47338227
5-chloro-N-(3-cyanophenyl)pyrazine-2-carboxamide
CID 103803374
1-methyl-N-(3-methylsulfonylphenyl)triazole-4-carboxamide
CID 110461981
(3-methylsulfonylphenyl)carbamothioic S-acid
CID 87640544
5-chloro-N-[3-(3-hydroxypropyl)phenyl]pyrazine-2-carboxamide
CID 107372169
N-[3-(diethylsulfamoyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 8933526
N-(3-methylsulfonylphenyl)-1H-imidazole-2-carboxamide
CID 110466603
3,5-dichloro-N-[4-[(3-methylsulfonylphenyl)carbamoyl]phenyl]benzamide
CID 55637881
5-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]pyrazine-2-carboxamide
CID 107372233

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-methylsulfonylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-(3-methylsulfonylphenyl)pyrazine-2-carboxamide (CID 103803477) is 5-chloro-N-(3-methylsulfonylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-methylsulfonylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-(3-methylsulfonylphenyl)pyrazine-2-carboxamide is CS(=O)(=O)c1cccc(NC(=O)c2cnc(Cl)cn2)c1.
What is the InChIKey of 5-chloro-N-(3-methylsulfonylphenyl)pyrazine-2-carboxamide?
The InChIKey is VLETUIKPZREOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O3S/c1-20(18,19)9-4-2-3-8(5-9)16-12(17)10-6-15-11(13)7-14-10/h2-7H,1H3,(H,16,17).
What are the key properties of 5-chloro-N-(3-methylsulfonylphenyl)pyrazine-2-carboxamide?
5-chloro-N-(3-methylsulfonylphenyl)pyrazine-2-carboxamide has a molecular weight of 311.75 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-methylsulfonylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 103803477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).