4-(1H-benzimidazol-2-yl)-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine

C19H16ClN5O2S — CID 16730648

IUPAC4-(1H-benzimidazol-2-yl)-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCc2[nH]ncc2C1c1nc2ccccc2[nH]1
InChIInChI=1S/C19H16ClN5O2S/c20-12-5-7-13(8-6-12)28(26,27)25-10-9-15-14(11-21-24-15)18(25)19-22-16-3-1-2-4-17(16)23-19/h1-8,11,18H,9-10H2,(H,21,24)(H,22,23)
InChIKeyHAQUEDTVQZIXFB-UHFFFAOYSA-N
MW413.89 g/mol
LogP3.28
Rot. Bonds3

About 4-(1H-benzimidazol-2-yl)-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine

4-(1H-benzimidazol-2-yl)-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (PubChem CID 16730648) has the molecular formula C19H16ClN5O2S and a molecular weight of 413.89 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
PubChem CID16730648
Molecular FormulaC19H16ClN5O2S
Molecular Weight413.89 g/mol
Exact Mass413.07
IUPAC Name4-(1H-benzimidazol-2-yl)-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCc2[nH]ncc2C1c1nc2ccccc2[nH]1
InChIInChI=1S/C19H16ClN5O2S/c20-12-5-7-13(8-6-12)28(26,27)25-10-9-15-14(11-21-24-15)18(25)19-22-16-3-1-2-4-17(16)23-19/h1-8,11,18H,9-10H2,(H,21,24)(H,22,23)
InChIKeyHAQUEDTVQZIXFB-UHFFFAOYSA-N
XLogP3.28
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.89
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (CID 16730648) is 4-(1H-benzimidazol-2-yl)-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is O=S(=O)(c1ccc(Cl)cc1)N1CCc2[nH]ncc2C1c1nc2ccccc2[nH]1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The InChIKey is HAQUEDTVQZIXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O2S/c20-12-5-7-13(8-6-12)28(26,27)25-10-9-15-14(11-21-24-15)18(25)19-22-16-3-1-2-4-17(16)23-19/h1-8,11,18H,9-10H2,(H,21,24)(H,22,23).
What are the key properties of 4-(1H-benzimidazol-2-yl)-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
4-(1H-benzimidazol-2-yl)-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine has a molecular weight of 413.89 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is sourced from PubChem (CID 16730648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).