N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-1H-pyrazole-4-sulfonamide

C12H12N6O2S — CID 60933080

IUPACN-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-1H-pyrazole-4-sulfonamide
SMILESCc1nccn1-c1ncccc1NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C12H12N6O2S/c1-9-13-5-6-18(9)12-11(3-2-4-14-12)17-21(19,20)10-7-15-16-8-10/h2-8,17H,1H3,(H,15,16)
InChIKeyLDQPFJQXXHVVFI-UHFFFAOYSA-N
MW304.34 g/mol
LogP1.10
Rot. Bonds4

About N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-1H-pyrazole-4-sulfonamide

N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-1H-pyrazole-4-sulfonamide (PubChem CID 60933080) has the molecular formula C12H12N6O2S and a molecular weight of 304.34 g/mol. Its IUPAC name is N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-1H-pyrazole-4-sulfonamide
PubChem CID60933080
Molecular FormulaC12H12N6O2S
Molecular Weight304.34 g/mol
Exact Mass304.07
IUPAC NameN-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-1H-pyrazole-4-sulfonamide
SMILESCc1nccn1-c1ncccc1NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C12H12N6O2S/c1-9-13-5-6-18(9)12-11(3-2-4-14-12)17-21(19,20)10-7-15-16-8-10/h2-8,17H,1H3,(H,15,16)
InChIKeyLDQPFJQXXHVVFI-UHFFFAOYSA-N
XLogP1.10
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-1H-pyrazole-4-sulfonamide (CID 60933080) is N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-1H-pyrazole-4-sulfonamide is Cc1nccn1-c1ncccc1NS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is LDQPFJQXXHVVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O2S/c1-9-13-5-6-18(9)12-11(3-2-4-14-12)17-21(19,20)10-7-15-16-8-10/h2-8,17H,1H3,(H,15,16).
What are the key properties of N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-1H-pyrazole-4-sulfonamide?
N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 304.34 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60933080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).