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

C17H15N5O2S — CID 121196568

IUPAC2-cyano-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
SMILESCn1cc(-c2cncc(CNS(=O)(=O)c3ccccc3C#N)c2)cn1
InChIInChI=1S/C17H15N5O2S/c1-22-12-16(11-20-22)15-6-13(8-19-10-15)9-21-25(23,24)17-5-3-2-4-14(17)7-18/h2-6,8,10-12,21H,9H2,1H3
InChIKeyAPSDZYGOEXDATD-UHFFFAOYSA-N
MW353.41 g/mol
LogP1.83
Rot. Bonds5

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

2-cyano-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide (PubChem CID 121196568) has the molecular formula C17H15N5O2S and a molecular weight of 353.41 g/mol. Its IUPAC name is 2-cyano-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
PubChem CID121196568
Molecular FormulaC17H15N5O2S
Molecular Weight353.41 g/mol
Exact Mass353.09
IUPAC Name2-cyano-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
SMILESCn1cc(-c2cncc(CNS(=O)(=O)c3ccccc3C#N)c2)cn1
InChIInChI=1S/C17H15N5O2S/c1-22-12-16(11-20-22)15-6-13(8-19-10-15)9-21-25(23,24)17-5-3-2-4-14(17)7-18/h2-6,8,10-12,21H,9H2,1H3
InChIKeyAPSDZYGOEXDATD-UHFFFAOYSA-N
XLogP1.83
TPSA100.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-cyano-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 121196538
2,5-dichloro-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 121196553
4-methyl-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 121196562
3-chloro-4-methyl-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 121196543
2-cyano-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 2572565
2-cyano-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 60729128
2-cyano-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948091
N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]quinoline-8-sulfonamide
CID 122274274
4-(dimethylsulfamoyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 119105098
2-cyano-N-[[4-(dimethylamino)phenyl]methyl]benzenesulfonamide
CID 9031818
N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]naphthalene-1-sulfonamide
CID 122162763
3-fluoro-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 121196339

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide?
The IUPAC name of 2-cyano-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide (CID 121196568) is 2-cyano-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide?
The canonical SMILES for 2-cyano-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide is Cn1cc(-c2cncc(CNS(=O)(=O)c3ccccc3C#N)c2)cn1.
What is the InChIKey of 2-cyano-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide?
The InChIKey is APSDZYGOEXDATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2S/c1-22-12-16(11-20-22)15-6-13(8-19-10-15)9-21-25(23,24)17-5-3-2-4-14(17)7-18/h2-6,8,10-12,21H,9H2,1H3.
What are the key properties of 2-cyano-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide?
2-cyano-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide has a molecular weight of 353.41 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide is sourced from PubChem (CID 121196568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).