N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indazole-5-carboxamide

C20H22N4O3S — CID 66610384

IUPACN-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indazole-5-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc2[nH]ncc2c1
InChIInChI=1S/C20H22N4O3S/c25-20(16-6-9-19-17(12-16)14-22-23-19)21-13-15-4-7-18(8-5-15)28(26,27)24-10-2-1-3-11-24/h4-9,12,14H,1-3,10-11,13H2,(H,21,25)(H,22,23)
InChIKeyGKXSBMUEAFOQDO-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.67
Rot. Bonds5

About N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indazole-5-carboxamide

N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indazole-5-carboxamide (PubChem CID 66610384) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indazole-5-carboxamide
PubChem CID66610384
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC NameN-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indazole-5-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc2[nH]ncc2c1
InChIInChI=1S/C20H22N4O3S/c25-20(16-6-9-19-17(12-16)14-22-23-19)21-13-15-4-7-18(8-5-15)28(26,27)24-10-2-1-3-11-24/h4-9,12,14H,1-3,10-11,13H2,(H,21,25)(H,22,23)
InChIKeyGKXSBMUEAFOQDO-UHFFFAOYSA-N
XLogP2.67
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indazole-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indazole-5-carboxamide?
The IUPAC name of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indazole-5-carboxamide (CID 66610384) is N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indazole-5-carboxamide is O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc2[nH]ncc2c1.
What is the InChIKey of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indazole-5-carboxamide?
The InChIKey is GKXSBMUEAFOQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c25-20(16-6-9-19-17(12-16)14-22-23-19)21-13-15-4-7-18(8-5-15)28(26,27)24-10-2-1-3-11-24/h4-9,12,14H,1-3,10-11,13H2,(H,21,25)(H,22,23).
What are the key properties of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indazole-5-carboxamide?
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indazole-5-carboxamide has a molecular weight of 398.49 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 66610384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).