N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]thiophene-2-sulfonamide

C13H13N5O2S2 — CID 121020030

IUPACN-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]thiophene-2-sulfonamide
SMILESCn1nc(-c2cnccn2)cc1CNS(=O)(=O)c1cccs1
InChIInChI=1S/C13H13N5O2S2/c1-18-10(7-11(17-18)12-9-14-4-5-15-12)8-16-22(19,20)13-3-2-6-21-13/h2-7,9,16H,8H2,1H3
InChIKeyKZMOXUSWJFSGPH-UHFFFAOYSA-N
MW335.41 g/mol
LogP1.42
Rot. Bonds5

About N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]thiophene-2-sulfonamide

N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]thiophene-2-sulfonamide (PubChem CID 121020030) has the molecular formula C13H13N5O2S2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]thiophene-2-sulfonamide
PubChem CID121020030
Molecular FormulaC13H13N5O2S2
Molecular Weight335.41 g/mol
Exact Mass335.05
IUPAC NameN-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]thiophene-2-sulfonamide
SMILESCn1nc(-c2cnccn2)cc1CNS(=O)(=O)c1cccs1
InChIInChI=1S/C13H13N5O2S2/c1-18-10(7-11(17-18)12-9-14-4-5-15-12)8-16-22(19,20)13-3-2-6-21-13/h2-7,9,16H,8H2,1H3
InChIKeyKZMOXUSWJFSGPH-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 N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]thiophene-2-sulfonamide (CID 121020030) is N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]thiophene-2-sulfonamide is Cn1nc(-c2cnccn2)cc1CNS(=O)(=O)c1cccs1.
What is the InChIKey of N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is KZMOXUSWJFSGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2S2/c1-18-10(7-11(17-18)12-9-14-4-5-15-12)8-16-22(19,20)13-3-2-6-21-13/h2-7,9,16H,8H2,1H3.
What are the key properties of N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]thiophene-2-sulfonamide?
N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]thiophene-2-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 N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 121020030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).