5-(benzenesulfonyl)-3-(1-methylpiperidin-4-yl)-2H-indazole

C19H21N3O2S — CID 24763350

IUPAC5-(benzenesulfonyl)-3-(1-methylpiperidin-4-yl)-2H-indazole
SMILESCN1CCC(c2[nH]nc3ccc(S(=O)(=O)c4ccccc4)cc23)CC1
InChIInChI=1S/C19H21N3O2S/c1-22-11-9-14(10-12-22)19-17-13-16(7-8-18(17)20-21-19)25(23,24)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H,20,21)
InChIKeyNKVPQARCVBQWEZ-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.20
Rot. Bonds3

About 5-(benzenesulfonyl)-3-(1-methylpiperidin-4-yl)-2H-indazole

5-(benzenesulfonyl)-3-(1-methylpiperidin-4-yl)-2H-indazole (PubChem CID 24763350) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-3-(1-methylpiperidin-4-yl)-2H-indazole.

Molecular Properties

Compound Name5-(benzenesulfonyl)-3-(1-methylpiperidin-4-yl)-2H-indazole
PubChem CID24763350
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name5-(benzenesulfonyl)-3-(1-methylpiperidin-4-yl)-2H-indazole
SMILESCN1CCC(c2[nH]nc3ccc(S(=O)(=O)c4ccccc4)cc23)CC1
InChIInChI=1S/C19H21N3O2S/c1-22-11-9-14(10-12-22)19-17-13-16(7-8-18(17)20-21-19)25(23,24)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H,20,21)
InChIKeyNKVPQARCVBQWEZ-UHFFFAOYSA-N
XLogP3.20
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-Methylpiperazin-1-yl)-3-tosyl-1H-indazole
CID 49836621
5-(4-Methylpiperazin-1-yl)-3-(m-tolylsulfonyl)-1H-indazole
CID 49836620
4-(piperazin-1-yl)-3-tosyl-1H-indazole
CID 49836506
6-(piperazin-1-yl)-3-tosyl-1H-indazole
CID 49836719
3-(3-methylphenyl)sulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride
CID 53319477
N-piperidin-4-yl-3-(4-propan-2-ylphenyl)sulfonyl-2H-indazol-5-amine;hydrochloride
CID 53323442
3-(4-Fluorophenylsulfonyl)-5-(4-methylpiperazin-1-yl)-1H-indazole
CID 10068007
5-(4-Methylpiperazin-1-yl)-3-(phenylsulfonyl)-1h-indazole
CID 10383646
3-(1-methylpiperidin-4-yl)-5-(1-naphthylsulfonyl)-1H-indazole
CID 16750338
3-(1-methylpiperidin-4-yl)-5-(naphthalen-2-ylsulfonyl)-1H-indazole
CID 24763349
5-(3-fluorophenylsulfonyl)-3-(1-methylpiperidin-4-yl)-1H-indazole
CID 24763351
5-(3-chlorophenylsulfonyl)-3-(1-methylpiperidin-4-yl)-1H-indazole
CID 24763352

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-3-(1-methylpiperidin-4-yl)-2H-indazole?
The IUPAC name of 5-(benzenesulfonyl)-3-(1-methylpiperidin-4-yl)-2H-indazole (CID 24763350) is 5-(benzenesulfonyl)-3-(1-methylpiperidin-4-yl)-2H-indazole.
What is the SMILES notation for 5-(benzenesulfonyl)-3-(1-methylpiperidin-4-yl)-2H-indazole?
The canonical SMILES for 5-(benzenesulfonyl)-3-(1-methylpiperidin-4-yl)-2H-indazole is CN1CCC(c2[nH]nc3ccc(S(=O)(=O)c4ccccc4)cc23)CC1.
What is the InChIKey of 5-(benzenesulfonyl)-3-(1-methylpiperidin-4-yl)-2H-indazole?
The InChIKey is NKVPQARCVBQWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-22-11-9-14(10-12-22)19-17-13-16(7-8-18(17)20-21-19)25(23,24)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H,20,21).
What are the key properties of 5-(benzenesulfonyl)-3-(1-methylpiperidin-4-yl)-2H-indazole?
5-(benzenesulfonyl)-3-(1-methylpiperidin-4-yl)-2H-indazole has a molecular weight of 355.46 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-3-(1-methylpiperidin-4-yl)-2H-indazole is sourced from PubChem (CID 24763350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).