6-(4-methylsulfonylphenyl)-N-phenyl-3-(sulfamoylamino)pyrazine-2-carboxamide

C18H17N5O5S2 — CID 121382833

IUPAC6-(4-methylsulfonylphenyl)-N-phenyl-3-(sulfamoylamino)pyrazine-2-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2cnc(NS(N)(=O)=O)c(C(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C18H17N5O5S2/c1-29(25,26)14-9-7-12(8-10-14)15-11-20-17(23-30(19,27)28)16(22-15)18(24)21-13-5-3-2-4-6-13/h2-11H,1H3,(H,20,23)(H,21,24)(H2,19,27,28)
InChIKeyBBVAVNCXSXTXAG-UHFFFAOYSA-N
MW447.50 g/mol
LogP1.41
Rot. Bonds6

About 6-(4-methylsulfonylphenyl)-N-phenyl-3-(sulfamoylamino)pyrazine-2-carboxamide

6-(4-methylsulfonylphenyl)-N-phenyl-3-(sulfamoylamino)pyrazine-2-carboxamide (PubChem CID 121382833) has the molecular formula C18H17N5O5S2 and a molecular weight of 447.50 g/mol. Its IUPAC name is 6-(4-methylsulfonylphenyl)-N-phenyl-3-(sulfamoylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(4-methylsulfonylphenyl)-N-phenyl-3-(sulfamoylamino)pyrazine-2-carboxamide
PubChem CID121382833
Molecular FormulaC18H17N5O5S2
Molecular Weight447.50 g/mol
Exact Mass447.07
IUPAC Name6-(4-methylsulfonylphenyl)-N-phenyl-3-(sulfamoylamino)pyrazine-2-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2cnc(NS(N)(=O)=O)c(C(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C18H17N5O5S2/c1-29(25,26)14-9-7-12(8-10-14)15-11-20-17(23-30(19,27)28)16(22-15)18(24)21-13-5-3-2-4-6-13/h2-11H,1H3,(H,20,23)(H,21,24)(H2,19,27,28)
InChIKeyBBVAVNCXSXTXAG-UHFFFAOYSA-N
XLogP1.41
TPSA161.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylsulfonylphenyl)-N-phenyl-3-(sulfamoylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-(4-methylsulfonylphenyl)-N-phenyl-3-(sulfamoylamino)pyrazine-2-carboxamide (CID 121382833) is 6-(4-methylsulfonylphenyl)-N-phenyl-3-(sulfamoylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-(4-methylsulfonylphenyl)-N-phenyl-3-(sulfamoylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-(4-methylsulfonylphenyl)-N-phenyl-3-(sulfamoylamino)pyrazine-2-carboxamide is CS(=O)(=O)c1ccc(-c2cnc(NS(N)(=O)=O)c(C(=O)Nc3ccccc3)n2)cc1.
What is the InChIKey of 6-(4-methylsulfonylphenyl)-N-phenyl-3-(sulfamoylamino)pyrazine-2-carboxamide?
The InChIKey is BBVAVNCXSXTXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O5S2/c1-29(25,26)14-9-7-12(8-10-14)15-11-20-17(23-30(19,27)28)16(22-15)18(24)21-13-5-3-2-4-6-13/h2-11H,1H3,(H,20,23)(H,21,24)(H2,19,27,28).
What are the key properties of 6-(4-methylsulfonylphenyl)-N-phenyl-3-(sulfamoylamino)pyrazine-2-carboxamide?
6-(4-methylsulfonylphenyl)-N-phenyl-3-(sulfamoylamino)pyrazine-2-carboxamide has a molecular weight of 447.50 g/mol, XLogP of 1.41, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylsulfonylphenyl)-N-phenyl-3-(sulfamoylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 121382833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).