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

C19H20ClN3O2S — CID 24763352

IUPAC5-(3-chlorophenyl)sulfonyl-3-(1-methylpiperidin-4-yl)-2H-indazole
SMILESCN1CCC(c2[nH]nc3ccc(S(=O)(=O)c4cccc(Cl)c4)cc23)CC1
InChIInChI=1S/C19H20ClN3O2S/c1-23-9-7-13(8-10-23)19-17-12-16(5-6-18(17)21-22-19)26(24,25)15-4-2-3-14(20)11-15/h2-6,11-13H,7-10H2,1H3,(H,21,22)
InChIKeyPBVKHJUVAZGVFV-UHFFFAOYSA-N
MW389.91 g/mol
LogP3.86
Rot. Bonds3

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

5-(3-chlorophenyl)sulfonyl-3-(1-methylpiperidin-4-yl)-2H-indazole (PubChem CID 24763352) has the molecular formula C19H20ClN3O2S and a molecular weight of 389.91 g/mol. Its IUPAC name is 5-(3-chlorophenyl)sulfonyl-3-(1-methylpiperidin-4-yl)-2H-indazole.

Molecular Properties

Compound Name5-(3-chlorophenyl)sulfonyl-3-(1-methylpiperidin-4-yl)-2H-indazole
PubChem CID24763352
Molecular FormulaC19H20ClN3O2S
Molecular Weight389.91 g/mol
Exact Mass389.10
IUPAC Name5-(3-chlorophenyl)sulfonyl-3-(1-methylpiperidin-4-yl)-2H-indazole
SMILESCN1CCC(c2[nH]nc3ccc(S(=O)(=O)c4cccc(Cl)c4)cc23)CC1
InChIInChI=1S/C19H20ClN3O2S/c1-23-9-7-13(8-10-23)19-17-12-16(5-6-18(17)21-22-19)26(24,25)15-4-2-3-14(20)11-15/h2-6,11-13H,7-10H2,1H3,(H,21,22)
InChIKeyPBVKHJUVAZGVFV-UHFFFAOYSA-N
XLogP3.86
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)sulfonyl-3-(1-methylpiperidin-4-yl)-2H-indazole?
The IUPAC name of 5-(3-chlorophenyl)sulfonyl-3-(1-methylpiperidin-4-yl)-2H-indazole (CID 24763352) is 5-(3-chlorophenyl)sulfonyl-3-(1-methylpiperidin-4-yl)-2H-indazole.
What is the SMILES notation for 5-(3-chlorophenyl)sulfonyl-3-(1-methylpiperidin-4-yl)-2H-indazole?
The canonical SMILES for 5-(3-chlorophenyl)sulfonyl-3-(1-methylpiperidin-4-yl)-2H-indazole is CN1CCC(c2[nH]nc3ccc(S(=O)(=O)c4cccc(Cl)c4)cc23)CC1.
What is the InChIKey of 5-(3-chlorophenyl)sulfonyl-3-(1-methylpiperidin-4-yl)-2H-indazole?
The InChIKey is PBVKHJUVAZGVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2S/c1-23-9-7-13(8-10-23)19-17-12-16(5-6-18(17)21-22-19)26(24,25)15-4-2-3-14(20)11-15/h2-6,11-13H,7-10H2,1H3,(H,21,22).
What are the key properties of 5-(3-chlorophenyl)sulfonyl-3-(1-methylpiperidin-4-yl)-2H-indazole?
5-(3-chlorophenyl)sulfonyl-3-(1-methylpiperidin-4-yl)-2H-indazole has a molecular weight of 389.91 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)sulfonyl-3-(1-methylpiperidin-4-yl)-2H-indazole is sourced from PubChem (CID 24763352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).