(E)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-phenylethenesulfonamide

C18H18N4O2S — CID 31913463

IUPAC(E)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-phenylethenesulfonamide
SMILESCc1cc(C)n(-c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cn2)n1
InChIInChI=1S/C18H18N4O2S/c1-14-12-15(2)22(20-14)18-9-8-17(13-19-18)21-25(23,24)11-10-16-6-4-3-5-7-16/h3-13,21H,1-2H3/b11-10+
InChIKeyXEXAIUCMAJQGTI-ZHACJKMWSA-N
MW354.44 g/mol
LogP3.30
Rot. Bonds5

About (E)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-phenylethenesulfonamide

(E)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-phenylethenesulfonamide (PubChem CID 31913463) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is (E)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-phenylethenesulfonamide
PubChem CID31913463
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name(E)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-phenylethenesulfonamide
SMILESCc1cc(C)n(-c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cn2)n1
InChIInChI=1S/C18H18N4O2S/c1-14-12-15(2)22(20-14)18-9-8-17(13-19-18)21-25(23,24)11-10-16-6-4-3-5-7-16/h3-13,21H,1-2H3/b11-10+
InChIKeyXEXAIUCMAJQGTI-ZHACJKMWSA-N
XLogP3.30
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-phenylethenesulfonamide (CID 31913463) is (E)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-phenylethenesulfonamide is Cc1cc(C)n(-c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cn2)n1.
What is the InChIKey of (E)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-phenylethenesulfonamide?
The InChIKey is XEXAIUCMAJQGTI-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-14-12-15(2)22(20-14)18-9-8-17(13-19-18)21-25(23,24)11-10-16-6-4-3-5-7-16/h3-13,21H,1-2H3/b11-10+.
What are the key properties of (E)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-phenylethenesulfonamide?
(E)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-phenylethenesulfonamide has a molecular weight of 354.44 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-phenylethenesulfonamide is sourced from PubChem (CID 31913463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).