2-ethoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide

C18H20N4O3S — CID 121196538

IUPAC2-ethoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
SMILESCCOc1ccccc1S(=O)(=O)NCc1cncc(-c2cnn(C)c2)c1
InChIInChI=1S/C18H20N4O3S/c1-3-25-17-6-4-5-7-18(17)26(23,24)21-10-14-8-15(11-19-9-14)16-12-20-22(2)13-16/h4-9,11-13,21H,3,10H2,1-2H3
InChIKeyXHOQJJIFHYNBIO-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.36
Rot. Bonds7

About 2-ethoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide

2-ethoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide (PubChem CID 121196538) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-ethoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-ethoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
PubChem CID121196538
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name2-ethoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
SMILESCCOc1ccccc1S(=O)(=O)NCc1cncc(-c2cnn(C)c2)c1
InChIInChI=1S/C18H20N4O3S/c1-3-25-17-6-4-5-7-18(17)26(23,24)21-10-14-8-15(11-19-9-14)16-12-20-22(2)13-16/h4-9,11-13,21H,3,10H2,1-2H3
InChIKeyXHOQJJIFHYNBIO-UHFFFAOYSA-N
XLogP2.36
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide?
The IUPAC name of 2-ethoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide (CID 121196538) is 2-ethoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-ethoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide?
The canonical SMILES for 2-ethoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide is CCOc1ccccc1S(=O)(=O)NCc1cncc(-c2cnn(C)c2)c1.
What is the InChIKey of 2-ethoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide?
The InChIKey is XHOQJJIFHYNBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-3-25-17-6-4-5-7-18(17)26(23,24)21-10-14-8-15(11-19-9-14)16-12-20-22(2)13-16/h4-9,11-13,21H,3,10H2,1-2H3.
What are the key properties of 2-ethoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide?
2-ethoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide has a molecular weight of 372.45 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide is sourced from PubChem (CID 121196538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).