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

C17H18N4O2S — CID 121022847

IUPAC4-methyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cccnc2-c2cnn(C)c2)cc1
InChIInChI=1S/C17H18N4O2S/c1-13-5-7-16(8-6-13)24(22,23)20-11-14-4-3-9-18-17(14)15-10-19-21(2)12-15/h3-10,12,20H,11H2,1-2H3
InChIKeyDCHWQRCDDINPGU-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.27
Rot. Bonds5

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

4-methyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide (PubChem CID 121022847) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 4-methyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
PubChem CID121022847
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name4-methyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cccnc2-c2cnn(C)c2)cc1
InChIInChI=1S/C17H18N4O2S/c1-13-5-7-16(8-6-13)24(22,23)20-11-14-4-3-9-18-17(14)15-10-19-21(2)12-15/h3-10,12,20H,11H2,1-2H3
InChIKeyDCHWQRCDDINPGU-UHFFFAOYSA-N
XLogP2.27
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide (CID 121022847) is 4-methyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2cccnc2-c2cnn(C)c2)cc1.
What is the InChIKey of 4-methyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide?
The InChIKey is DCHWQRCDDINPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-13-5-7-16(8-6-13)24(22,23)20-11-14-4-3-9-18-17(14)15-10-19-21(2)12-15/h3-10,12,20H,11H2,1-2H3.
What are the key properties of 4-methyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide?
4-methyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide is sourced from PubChem (CID 121022847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).