6-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine

C18H15Cl2N3O2S — CID 16730477

IUPAC6-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1Cc2cn[nH]c2CC1c1ccc(Cl)cc1
InChIInChI=1S/C18H15Cl2N3O2S/c19-14-3-1-12(2-4-14)18-9-17-13(10-21-22-17)11-23(18)26(24,25)16-7-5-15(20)6-8-16/h1-8,10,18H,9,11H2,(H,21,22)
InChIKeyZRCZGEIHIFDAPM-UHFFFAOYSA-N
MW408.31 g/mol
LogP4.20
Rot. Bonds3

About 6-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine

6-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (PubChem CID 16730477) has the molecular formula C18H15Cl2N3O2S and a molecular weight of 408.31 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
PubChem CID16730477
Molecular FormulaC18H15Cl2N3O2S
Molecular Weight408.31 g/mol
Exact Mass407.03
IUPAC Name6-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1Cc2cn[nH]c2CC1c1ccc(Cl)cc1
InChIInChI=1S/C18H15Cl2N3O2S/c19-14-3-1-12(2-4-14)18-9-17-13(10-21-22-17)11-23(18)26(24,25)16-7-5-15(20)6-8-16/h1-8,10,18H,9,11H2,(H,21,22)
InChIKeyZRCZGEIHIFDAPM-UHFFFAOYSA-N
XLogP4.20
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.31
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The IUPAC name of 6-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (CID 16730477) is 6-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.
What is the SMILES notation for 6-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The canonical SMILES for 6-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is O=S(=O)(c1ccc(Cl)cc1)N1Cc2cn[nH]c2CC1c1ccc(Cl)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The InChIKey is ZRCZGEIHIFDAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2S/c19-14-3-1-12(2-4-14)18-9-17-13(10-21-22-17)11-23(18)26(24,25)16-7-5-15(20)6-8-16/h1-8,10,18H,9,11H2,(H,21,22).
What are the key properties of 6-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
6-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine has a molecular weight of 408.31 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is sourced from PubChem (CID 16730477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).