5-chloro-4-[3-chloro-5-(2-fluoro-3-pyridinyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide

C20H12Cl2F2N4O3S — CID 122458705

IUPAC5-chloro-4-[3-chloro-5-(2-fluoro-3-pyridinyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1cc(Cl)c(-n2nc(Cl)c3cc(-c4cccnc4F)ccc32)cc1F
InChIInChI=1S/C20H12Cl2F2N4O3S/c1-32(30,31)27-20(29)12-8-14(21)17(9-15(12)23)28-16-5-4-10(7-13(16)18(22)26-28)11-3-2-6-25-19(11)24/h2-9H,1H3,(H,27,29)
InChIKeyBSVJOZWLEOUTPH-UHFFFAOYSA-N
MW497.31 g/mol
LogP4.36
Rot. Bonds4

About 5-chloro-4-[3-chloro-5-(2-fluoro-3-pyridinyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide

5-chloro-4-[3-chloro-5-(2-fluoro-3-pyridinyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide (PubChem CID 122458705) has the molecular formula C20H12Cl2F2N4O3S and a molecular weight of 497.31 g/mol. Its IUPAC name is 5-chloro-4-[3-chloro-5-(2-fluoro-3-pyridinyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name5-chloro-4-[3-chloro-5-(2-fluoro-3-pyridinyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide
PubChem CID122458705
Molecular FormulaC20H12Cl2F2N4O3S
Molecular Weight497.31 g/mol
Exact Mass496.00
IUPAC Name5-chloro-4-[3-chloro-5-(2-fluoro-3-pyridinyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1cc(Cl)c(-n2nc(Cl)c3cc(-c4cccnc4F)ccc32)cc1F
InChIInChI=1S/C20H12Cl2F2N4O3S/c1-32(30,31)27-20(29)12-8-14(21)17(9-15(12)23)28-16-5-4-10(7-13(16)18(22)26-28)11-3-2-6-25-19(11)24/h2-9H,1H3,(H,27,29)
InChIKeyBSVJOZWLEOUTPH-UHFFFAOYSA-N
XLogP4.36
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.31
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[3-chloro-5-(2-fluoro-3-pyridinyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide?
The IUPAC name of 5-chloro-4-[3-chloro-5-(2-fluoro-3-pyridinyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide (CID 122458705) is 5-chloro-4-[3-chloro-5-(2-fluoro-3-pyridinyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide.
What is the SMILES notation for 5-chloro-4-[3-chloro-5-(2-fluoro-3-pyridinyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide?
The canonical SMILES for 5-chloro-4-[3-chloro-5-(2-fluoro-3-pyridinyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide is CS(=O)(=O)NC(=O)c1cc(Cl)c(-n2nc(Cl)c3cc(-c4cccnc4F)ccc32)cc1F.
What is the InChIKey of 5-chloro-4-[3-chloro-5-(2-fluoro-3-pyridinyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide?
The InChIKey is BSVJOZWLEOUTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2F2N4O3S/c1-32(30,31)27-20(29)12-8-14(21)17(9-15(12)23)28-16-5-4-10(7-13(16)18(22)26-28)11-3-2-6-25-19(11)24/h2-9H,1H3,(H,27,29).
What are the key properties of 5-chloro-4-[3-chloro-5-(2-fluoro-3-pyridinyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide?
5-chloro-4-[3-chloro-5-(2-fluoro-3-pyridinyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide has a molecular weight of 497.31 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[3-chloro-5-(2-fluoro-3-pyridinyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide is sourced from PubChem (CID 122458705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).