1-methyl-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]pyrazole-4-sulfonamide

C13H13N5O2S2 — CID 122163133

IUPAC1-methyl-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCc2nccnc2-c2cccs2)cn1
InChIInChI=1S/C13H13N5O2S2/c1-18-9-10(7-16-18)22(19,20)17-8-11-13(15-5-4-14-11)12-3-2-6-21-12/h2-7,9,17H,8H2,1H3
InChIKeyVPKVPHHIZMAWQX-UHFFFAOYSA-N
MW335.41 g/mol
LogP1.42
Rot. Bonds5

About 1-methyl-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]pyrazole-4-sulfonamide

1-methyl-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]pyrazole-4-sulfonamide (PubChem CID 122163133) has the molecular formula C13H13N5O2S2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-methyl-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]pyrazole-4-sulfonamide
PubChem CID122163133
Molecular FormulaC13H13N5O2S2
Molecular Weight335.41 g/mol
Exact Mass335.05
IUPAC Name1-methyl-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCc2nccnc2-c2cccs2)cn1
InChIInChI=1S/C13H13N5O2S2/c1-18-9-10(7-16-18)22(19,20)17-8-11-13(15-5-4-14-11)12-3-2-6-21-12/h2-7,9,17H,8H2,1H3
InChIKeyVPKVPHHIZMAWQX-UHFFFAOYSA-N
XLogP1.42
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]pyrazole-4-sulfonamide (CID 122163133) is 1-methyl-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]pyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NCc2nccnc2-c2cccs2)cn1.
What is the InChIKey of 1-methyl-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]pyrazole-4-sulfonamide?
The InChIKey is VPKVPHHIZMAWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2S2/c1-18-9-10(7-16-18)22(19,20)17-8-11-13(15-5-4-14-11)12-3-2-6-21-12/h2-7,9,17H,8H2,1H3.
What are the key properties of 1-methyl-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]pyrazole-4-sulfonamide?
1-methyl-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]pyrazole-4-sulfonamide has a molecular weight of 335.41 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 122163133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).