5-(4-chlorophenyl)sulfonyl-6-(3,5-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine

C18H14ClF2N3O2S — CID 16730478

IUPAC5-(4-chlorophenyl)sulfonyl-6-(3,5-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1Cc2cn[nH]c2CC1c1cc(F)cc(F)c1
InChIInChI=1S/C18H14ClF2N3O2S/c19-13-1-3-16(4-2-13)27(25,26)24-10-12-9-22-23-17(12)8-18(24)11-5-14(20)7-15(21)6-11/h1-7,9,18H,8,10H2,(H,22,23)
InChIKeyABPUPKAKVGTPJW-UHFFFAOYSA-N
MW409.85 g/mol
LogP3.83
Rot. Bonds3

About 5-(4-chlorophenyl)sulfonyl-6-(3,5-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine

5-(4-chlorophenyl)sulfonyl-6-(3,5-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (PubChem CID 16730478) has the molecular formula C18H14ClF2N3O2S and a molecular weight of 409.85 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfonyl-6-(3,5-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfonyl-6-(3,5-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
PubChem CID16730478
Molecular FormulaC18H14ClF2N3O2S
Molecular Weight409.85 g/mol
Exact Mass409.05
IUPAC Name5-(4-chlorophenyl)sulfonyl-6-(3,5-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1Cc2cn[nH]c2CC1c1cc(F)cc(F)c1
InChIInChI=1S/C18H14ClF2N3O2S/c19-13-1-3-16(4-2-13)27(25,26)24-10-12-9-22-23-17(12)8-18(24)11-5-14(20)7-15(21)6-11/h1-7,9,18H,8,10H2,(H,22,23)
InChIKeyABPUPKAKVGTPJW-UHFFFAOYSA-N
XLogP3.83
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.85
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4-chlorophenyl)sulfonyl-6-(3,5-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-Chlorophenylsulfonyl)-4-ethyl-4,5-dihydro-1H-pyrazolo[4,3-c]quinoline
CID 24864705
5-(4-Chlorophenyl)sulfonyl-4-cyclopropyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24864711
5-(4-Chlorophenyl)sulfonyl-4-(trifluoromethyl)-1,4-dihydropyrazolo[4,3-c]quinoline
CID 24864885
5-(4-Chlorophenyl)sulfonyl-4-propan-2-yl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24864886
12-(4-Chlorophenyl)sulfonyl-10-ethynyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene
CID 45279238
10-[(E)-2-chloroethenyl]-12-(4-chlorophenyl)sulfonyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene
CID 45279506
(4R)-5-(4-chlorophenyl)sulfonyl-8-fluoro-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 45485492
12-(4-Chlorophenyl)sulfonyl-10-prop-1-ynyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene
CID 45487093
CID 45487146
CID 45487146
(4R,6S)-5-(4-chlorophenyl)sulfonyl-4,6-diethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 46236732
4-(4-Chloro-2-fluorobenzyl)-1-((3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl)-4-fluoropiperidine
CID 72550891
7-Chloro-4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 45485496

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfonyl-6-(3,5-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The IUPAC name of 5-(4-chlorophenyl)sulfonyl-6-(3,5-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (CID 16730478) is 5-(4-chlorophenyl)sulfonyl-6-(3,5-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.
What is the SMILES notation for 5-(4-chlorophenyl)sulfonyl-6-(3,5-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The canonical SMILES for 5-(4-chlorophenyl)sulfonyl-6-(3,5-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is O=S(=O)(c1ccc(Cl)cc1)N1Cc2cn[nH]c2CC1c1cc(F)cc(F)c1.
What is the InChIKey of 5-(4-chlorophenyl)sulfonyl-6-(3,5-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The InChIKey is ABPUPKAKVGTPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF2N3O2S/c19-13-1-3-16(4-2-13)27(25,26)24-10-12-9-22-23-17(12)8-18(24)11-5-14(20)7-15(21)6-11/h1-7,9,18H,8,10H2,(H,22,23).
What are the key properties of 5-(4-chlorophenyl)sulfonyl-6-(3,5-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
5-(4-chlorophenyl)sulfonyl-6-(3,5-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine has a molecular weight of 409.85 g/mol, XLogP of 3.83, 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-6-(3,5-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is sourced from PubChem (CID 16730478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).