5-(4-chlorophenyl)sulfonyl-7,7-difluoro-4-propan-2-yl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine

C15H16ClF2N3O2S — CID 46890761

IUPAC5-(4-chlorophenyl)sulfonyl-7,7-difluoro-4-propan-2-yl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
SMILESCC(C)C1c2cn[nH]c2C(F)(F)CN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClF2N3O2S/c1-9(2)13-12-7-19-20-14(12)15(17,18)8-21(13)24(22,23)11-5-3-10(16)4-6-11/h3-7,9,13H,8H2,1-2H3,(H,19,20)
InChIKeyASXMFJUHDKLPJP-UHFFFAOYSA-N
MW375.83 g/mol
LogP3.56
Rot. Bonds3

About 5-(4-chlorophenyl)sulfonyl-7,7-difluoro-4-propan-2-yl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine

5-(4-chlorophenyl)sulfonyl-7,7-difluoro-4-propan-2-yl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine (PubChem CID 46890761) has the molecular formula C15H16ClF2N3O2S and a molecular weight of 375.83 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfonyl-7,7-difluoro-4-propan-2-yl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfonyl-7,7-difluoro-4-propan-2-yl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
PubChem CID46890761
Molecular FormulaC15H16ClF2N3O2S
Molecular Weight375.83 g/mol
Exact Mass375.06
IUPAC Name5-(4-chlorophenyl)sulfonyl-7,7-difluoro-4-propan-2-yl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
SMILESCC(C)C1c2cn[nH]c2C(F)(F)CN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClF2N3O2S/c1-9(2)13-12-7-19-20-14(12)15(17,18)8-21(13)24(22,23)11-5-3-10(16)4-6-11/h3-7,9,13H,8H2,1-2H3,(H,19,20)
InChIKeyASXMFJUHDKLPJP-UHFFFAOYSA-N
XLogP3.56
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.83
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfonyl-7,7-difluoro-4-propan-2-yl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine?
The IUPAC name of 5-(4-chlorophenyl)sulfonyl-7,7-difluoro-4-propan-2-yl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine (CID 46890761) is 5-(4-chlorophenyl)sulfonyl-7,7-difluoro-4-propan-2-yl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine.
What is the SMILES notation for 5-(4-chlorophenyl)sulfonyl-7,7-difluoro-4-propan-2-yl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine?
The canonical SMILES for 5-(4-chlorophenyl)sulfonyl-7,7-difluoro-4-propan-2-yl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine is CC(C)C1c2cn[nH]c2C(F)(F)CN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)sulfonyl-7,7-difluoro-4-propan-2-yl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine?
The InChIKey is ASXMFJUHDKLPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF2N3O2S/c1-9(2)13-12-7-19-20-14(12)15(17,18)8-21(13)24(22,23)11-5-3-10(16)4-6-11/h3-7,9,13H,8H2,1-2H3,(H,19,20).
What are the key properties of 5-(4-chlorophenyl)sulfonyl-7,7-difluoro-4-propan-2-yl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine?
5-(4-chlorophenyl)sulfonyl-7,7-difluoro-4-propan-2-yl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine has a molecular weight of 375.83 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfonyl-7,7-difluoro-4-propan-2-yl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine is sourced from PubChem (CID 46890761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).