2-chloro-N-[1-(3-chlorophenyl)sulfonylpyrazolo[4,3-c]pyridin-6-yl]-6-fluorobenzamide

C19H11Cl2FN4O3S — CID 118033522

IUPAC2-chloro-N-[1-(3-chlorophenyl)sulfonylpyrazolo[4,3-c]pyridin-6-yl]-6-fluorobenzamide
SMILESO=C(Nc1cc2c(cn1)cnn2S(=O)(=O)c1cccc(Cl)c1)c1c(F)cccc1Cl
InChIInChI=1S/C19H11Cl2FN4O3S/c20-12-3-1-4-13(7-12)30(28,29)26-16-8-17(23-9-11(16)10-24-26)25-19(27)18-14(21)5-2-6-15(18)22/h1-10H,(H,23,25,27)
InChIKeyNPMAMXLHGUAFNN-UHFFFAOYSA-N
MW465.29 g/mol
LogP4.37
Rot. Bonds4

About 2-chloro-N-[1-(3-chlorophenyl)sulfonylpyrazolo[4,3-c]pyridin-6-yl]-6-fluorobenzamide

2-chloro-N-[1-(3-chlorophenyl)sulfonylpyrazolo[4,3-c]pyridin-6-yl]-6-fluorobenzamide (PubChem CID 118033522) has the molecular formula C19H11Cl2FN4O3S and a molecular weight of 465.29 g/mol. Its IUPAC name is 2-chloro-N-[1-(3-chlorophenyl)sulfonylpyrazolo[4,3-c]pyridin-6-yl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(3-chlorophenyl)sulfonylpyrazolo[4,3-c]pyridin-6-yl]-6-fluorobenzamide
PubChem CID118033522
Molecular FormulaC19H11Cl2FN4O3S
Molecular Weight465.29 g/mol
Exact Mass463.99
IUPAC Name2-chloro-N-[1-(3-chlorophenyl)sulfonylpyrazolo[4,3-c]pyridin-6-yl]-6-fluorobenzamide
SMILESO=C(Nc1cc2c(cn1)cnn2S(=O)(=O)c1cccc(Cl)c1)c1c(F)cccc1Cl
InChIInChI=1S/C19H11Cl2FN4O3S/c20-12-3-1-4-13(7-12)30(28,29)26-16-8-17(23-9-11(16)10-24-26)25-19(27)18-14(21)5-2-6-15(18)22/h1-10H,(H,23,25,27)
InChIKeyNPMAMXLHGUAFNN-UHFFFAOYSA-N
XLogP4.37
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.29
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3-chlorophenyl)sulfonylpyrazolo[4,3-c]pyridin-6-yl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[1-(3-chlorophenyl)sulfonylpyrazolo[4,3-c]pyridin-6-yl]-6-fluorobenzamide (CID 118033522) is 2-chloro-N-[1-(3-chlorophenyl)sulfonylpyrazolo[4,3-c]pyridin-6-yl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[1-(3-chlorophenyl)sulfonylpyrazolo[4,3-c]pyridin-6-yl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[1-(3-chlorophenyl)sulfonylpyrazolo[4,3-c]pyridin-6-yl]-6-fluorobenzamide is O=C(Nc1cc2c(cn1)cnn2S(=O)(=O)c1cccc(Cl)c1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N-[1-(3-chlorophenyl)sulfonylpyrazolo[4,3-c]pyridin-6-yl]-6-fluorobenzamide?
The InChIKey is NPMAMXLHGUAFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2FN4O3S/c20-12-3-1-4-13(7-12)30(28,29)26-16-8-17(23-9-11(16)10-24-26)25-19(27)18-14(21)5-2-6-15(18)22/h1-10H,(H,23,25,27).
What are the key properties of 2-chloro-N-[1-(3-chlorophenyl)sulfonylpyrazolo[4,3-c]pyridin-6-yl]-6-fluorobenzamide?
2-chloro-N-[1-(3-chlorophenyl)sulfonylpyrazolo[4,3-c]pyridin-6-yl]-6-fluorobenzamide has a molecular weight of 465.29 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(3-chlorophenyl)sulfonylpyrazolo[4,3-c]pyridin-6-yl]-6-fluorobenzamide is sourced from PubChem (CID 118033522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).