5-chloro-6-ethyl-3-(2-methylsulfonylanilino)pyrazine-2-carboxamide

C14H15ClN4O3S — CID 88569686

IUPAC5-chloro-6-ethyl-3-(2-methylsulfonylanilino)pyrazine-2-carboxamide
SMILESCCc1nc(C(N)=O)c(Nc2ccccc2S(C)(=O)=O)nc1Cl
InChIInChI=1S/C14H15ClN4O3S/c1-3-8-12(15)19-14(11(17-8)13(16)20)18-9-6-4-5-7-10(9)23(2,21)22/h4-7H,3H2,1-2H3,(H2,16,20)(H,18,19)
InChIKeyIMDXDCLOYPPPQC-UHFFFAOYSA-N
MW354.82 g/mol
LogP1.94
Rot. Bonds5

About 5-chloro-6-ethyl-3-(2-methylsulfonylanilino)pyrazine-2-carboxamide

5-chloro-6-ethyl-3-(2-methylsulfonylanilino)pyrazine-2-carboxamide (PubChem CID 88569686) has the molecular formula C14H15ClN4O3S and a molecular weight of 354.82 g/mol. Its IUPAC name is 5-chloro-6-ethyl-3-(2-methylsulfonylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-6-ethyl-3-(2-methylsulfonylanilino)pyrazine-2-carboxamide
PubChem CID88569686
Molecular FormulaC14H15ClN4O3S
Molecular Weight354.82 g/mol
Exact Mass354.06
IUPAC Name5-chloro-6-ethyl-3-(2-methylsulfonylanilino)pyrazine-2-carboxamide
SMILESCCc1nc(C(N)=O)c(Nc2ccccc2S(C)(=O)=O)nc1Cl
InChIInChI=1S/C14H15ClN4O3S/c1-3-8-12(15)19-14(11(17-8)13(16)20)18-9-6-4-5-7-10(9)23(2,21)22/h4-7H,3H2,1-2H3,(H2,16,20)(H,18,19)
InChIKeyIMDXDCLOYPPPQC-UHFFFAOYSA-N
XLogP1.94
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-ethyl-3-(2-methylsulfonylanilino)pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-6-ethyl-3-(2-methylsulfonylanilino)pyrazine-2-carboxamide (CID 88569686) is 5-chloro-6-ethyl-3-(2-methylsulfonylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-6-ethyl-3-(2-methylsulfonylanilino)pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-6-ethyl-3-(2-methylsulfonylanilino)pyrazine-2-carboxamide is CCc1nc(C(N)=O)c(Nc2ccccc2S(C)(=O)=O)nc1Cl.
What is the InChIKey of 5-chloro-6-ethyl-3-(2-methylsulfonylanilino)pyrazine-2-carboxamide?
The InChIKey is IMDXDCLOYPPPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O3S/c1-3-8-12(15)19-14(11(17-8)13(16)20)18-9-6-4-5-7-10(9)23(2,21)22/h4-7H,3H2,1-2H3,(H2,16,20)(H,18,19).
What are the key properties of 5-chloro-6-ethyl-3-(2-methylsulfonylanilino)pyrazine-2-carboxamide?
5-chloro-6-ethyl-3-(2-methylsulfonylanilino)pyrazine-2-carboxamide has a molecular weight of 354.82 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-ethyl-3-(2-methylsulfonylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 88569686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).