5-(4-chlorophenyl)sulfonyl-4,6-bis(2,2-difluoroethenyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine

C16H12ClF4N3O2S — CID 16730167

IUPAC5-(4-chlorophenyl)sulfonyl-4,6-bis(2,2-difluoroethenyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1C(C=C(F)F)Cc2[nH]ncc2C1C=C(F)F
InChIInChI=1S/C16H12ClF4N3O2S/c17-9-1-3-11(4-2-9)27(25,26)24-10(6-15(18)19)5-13-12(8-22-23-13)14(24)7-16(20)21/h1-4,6-8,10,14H,5H2,(H,22,23)
InChIKeyVQICZUMHISWBRF-UHFFFAOYSA-N
MW421.80 g/mol
LogP4.28
Rot. Bonds4

About 5-(4-chlorophenyl)sulfonyl-4,6-bis(2,2-difluoroethenyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine

5-(4-chlorophenyl)sulfonyl-4,6-bis(2,2-difluoroethenyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (PubChem CID 16730167) has the molecular formula C16H12ClF4N3O2S and a molecular weight of 421.80 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfonyl-4,6-bis(2,2-difluoroethenyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfonyl-4,6-bis(2,2-difluoroethenyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
PubChem CID16730167
Molecular FormulaC16H12ClF4N3O2S
Molecular Weight421.80 g/mol
Exact Mass421.03
IUPAC Name5-(4-chlorophenyl)sulfonyl-4,6-bis(2,2-difluoroethenyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1C(C=C(F)F)Cc2[nH]ncc2C1C=C(F)F
InChIInChI=1S/C16H12ClF4N3O2S/c17-9-1-3-11(4-2-9)27(25,26)24-10(6-15(18)19)5-13-12(8-22-23-13)14(24)7-16(20)21/h1-4,6-8,10,14H,5H2,(H,22,23)
InChIKeyVQICZUMHISWBRF-UHFFFAOYSA-N
XLogP4.28
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.80
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,8R)-12-(4-chlorophenyl)sulfonyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene
CID 15951518
6-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-4-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 16730481
12-(4-chlorophenyl)sulfonyl-10-prop-1-ynyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene
CID 45487093
5-[12-(4-chlorophenyl)sulfonyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-dien-10-yl]-3-methyl-1,2,4-oxadiazole
CID 56658872
[5-(4-chlorophenyl)sulfonyl-4-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-6-yl]methyl N,N-dimethylcarbamate
CID 16730797
4-[12-(4-chlorophenyl)sulfonyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-dien-10-yl]thiadiazole
CID 45279600
12-(4-chlorophenyl)sulfonyl-10-(1-methyltriazol-4-yl)-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene
CID 67308143
11-[4-(trifluoromethyl)phenyl]sulfonyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3,9-triene
CID 67309088
5-(4-chlorophenyl)sulfonyl-4-methyl-1,4,5a,6,7,8,9,9a-octahydropyrazolo[4,5-c]quinoline
CID 24864707
5-(4-chlorophenyl)sulfonyl-7,7-difluoro-4-propan-2-yl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
CID 46890761
16-[4-(trifluoromethyl)phenyl]sulfonyl-12,13,16-triazatetracyclo[7.6.1.02,7.010,14]hexadeca-2,4,6,10(14),11-pentaene
CID 67377117
ethyl (6S)-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-6-carboxylate
CID 59342363

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfonyl-4,6-bis(2,2-difluoroethenyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The IUPAC name of 5-(4-chlorophenyl)sulfonyl-4,6-bis(2,2-difluoroethenyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (CID 16730167) is 5-(4-chlorophenyl)sulfonyl-4,6-bis(2,2-difluoroethenyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.
What is the SMILES notation for 5-(4-chlorophenyl)sulfonyl-4,6-bis(2,2-difluoroethenyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The canonical SMILES for 5-(4-chlorophenyl)sulfonyl-4,6-bis(2,2-difluoroethenyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is O=S(=O)(c1ccc(Cl)cc1)N1C(C=C(F)F)Cc2[nH]ncc2C1C=C(F)F.
What is the InChIKey of 5-(4-chlorophenyl)sulfonyl-4,6-bis(2,2-difluoroethenyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The InChIKey is VQICZUMHISWBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF4N3O2S/c17-9-1-3-11(4-2-9)27(25,26)24-10(6-15(18)19)5-13-12(8-22-23-13)14(24)7-16(20)21/h1-4,6-8,10,14H,5H2,(H,22,23).
What are the key properties of 5-(4-chlorophenyl)sulfonyl-4,6-bis(2,2-difluoroethenyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
5-(4-chlorophenyl)sulfonyl-4,6-bis(2,2-difluoroethenyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine has a molecular weight of 421.80 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfonyl-4,6-bis(2,2-difluoroethenyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is sourced from PubChem (CID 16730167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).