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

C20H13ClF2N4O3S — CID 122458700

IUPAC5-chloro-2-fluoro-4-[3-(4-fluoro-3-pyridinyl)indazol-1-yl]-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1cc(Cl)c(-n2nc(-c3cnccc3F)c3ccccc32)cc1F
InChIInChI=1S/C20H13ClF2N4O3S/c1-31(29,30)26-20(28)12-8-14(21)18(9-16(12)23)27-17-5-3-2-4-11(17)19(25-27)13-10-24-7-6-15(13)22/h2-10H,1H3,(H,26,28)
InChIKeyZHXMUKRNKIPNQZ-UHFFFAOYSA-N
MW462.87 g/mol
LogP3.71
Rot. Bonds4

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

5-chloro-2-fluoro-4-[3-(4-fluoro-3-pyridinyl)indazol-1-yl]-N-methylsulfonylbenzamide (PubChem CID 122458700) has the molecular formula C20H13ClF2N4O3S and a molecular weight of 462.87 g/mol. Its IUPAC name is 5-chloro-2-fluoro-4-[3-(4-fluoro-3-pyridinyl)indazol-1-yl]-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-4-[3-(4-fluoro-3-pyridinyl)indazol-1-yl]-N-methylsulfonylbenzamide
PubChem CID122458700
Molecular FormulaC20H13ClF2N4O3S
Molecular Weight462.87 g/mol
Exact Mass462.04
IUPAC Name5-chloro-2-fluoro-4-[3-(4-fluoro-3-pyridinyl)indazol-1-yl]-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1cc(Cl)c(-n2nc(-c3cnccc3F)c3ccccc32)cc1F
InChIInChI=1S/C20H13ClF2N4O3S/c1-31(29,30)26-20(28)12-8-14(21)18(9-16(12)23)27-17-5-3-2-4-11(17)19(25-27)13-10-24-7-6-15(13)22/h2-10H,1H3,(H,26,28)
InChIKeyZHXMUKRNKIPNQZ-UHFFFAOYSA-N
XLogP3.71
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.87
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-4-[3-(4-fluoro-3-pyridinyl)indazol-1-yl]-N-methylsulfonylbenzamide?
The IUPAC name of 5-chloro-2-fluoro-4-[3-(4-fluoro-3-pyridinyl)indazol-1-yl]-N-methylsulfonylbenzamide (CID 122458700) is 5-chloro-2-fluoro-4-[3-(4-fluoro-3-pyridinyl)indazol-1-yl]-N-methylsulfonylbenzamide.
What is the SMILES notation for 5-chloro-2-fluoro-4-[3-(4-fluoro-3-pyridinyl)indazol-1-yl]-N-methylsulfonylbenzamide?
The canonical SMILES for 5-chloro-2-fluoro-4-[3-(4-fluoro-3-pyridinyl)indazol-1-yl]-N-methylsulfonylbenzamide is CS(=O)(=O)NC(=O)c1cc(Cl)c(-n2nc(-c3cnccc3F)c3ccccc32)cc1F.
What is the InChIKey of 5-chloro-2-fluoro-4-[3-(4-fluoro-3-pyridinyl)indazol-1-yl]-N-methylsulfonylbenzamide?
The InChIKey is ZHXMUKRNKIPNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF2N4O3S/c1-31(29,30)26-20(28)12-8-14(21)18(9-16(12)23)27-17-5-3-2-4-11(17)19(25-27)13-10-24-7-6-15(13)22/h2-10H,1H3,(H,26,28).
What are the key properties of 5-chloro-2-fluoro-4-[3-(4-fluoro-3-pyridinyl)indazol-1-yl]-N-methylsulfonylbenzamide?
5-chloro-2-fluoro-4-[3-(4-fluoro-3-pyridinyl)indazol-1-yl]-N-methylsulfonylbenzamide has a molecular weight of 462.87 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-4-[3-(4-fluoro-3-pyridinyl)indazol-1-yl]-N-methylsulfonylbenzamide is sourced from PubChem (CID 122458700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).