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

C19H14Cl2FN5O3S — CID 135356866

IUPAC5-chloro-4-[5-chloro-3-(1-methylpyrazol-4-yl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide
SMILESCn1cc(-c2nn(-c3cc(F)c(C(=O)NS(C)(=O)=O)cc3Cl)c3ccc(Cl)cc23)cn1
InChIInChI=1S/C19H14Cl2FN5O3S/c1-26-9-10(8-23-26)18-13-5-11(20)3-4-16(13)27(24-18)17-7-15(22)12(6-14(17)21)19(28)25-31(2,29)30/h3-9H,1-2H3,(H,25,28)
InChIKeyNAROPJJKGROSJE-UHFFFAOYSA-N
MW482.32 g/mol
LogP3.56
Rot. Bonds4

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

5-chloro-4-[5-chloro-3-(1-methylpyrazol-4-yl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide (PubChem CID 135356866) has the molecular formula C19H14Cl2FN5O3S and a molecular weight of 482.32 g/mol. Its IUPAC name is 5-chloro-4-[5-chloro-3-(1-methylpyrazol-4-yl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name5-chloro-4-[5-chloro-3-(1-methylpyrazol-4-yl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide
PubChem CID135356866
Molecular FormulaC19H14Cl2FN5O3S
Molecular Weight482.32 g/mol
Exact Mass481.02
IUPAC Name5-chloro-4-[5-chloro-3-(1-methylpyrazol-4-yl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide
SMILESCn1cc(-c2nn(-c3cc(F)c(C(=O)NS(C)(=O)=O)cc3Cl)c3ccc(Cl)cc23)cn1
InChIInChI=1S/C19H14Cl2FN5O3S/c1-26-9-10(8-23-26)18-13-5-11(20)3-4-16(13)27(24-18)17-7-15(22)12(6-14(17)21)19(28)25-31(2,29)30/h3-9H,1-2H3,(H,25,28)
InChIKeyNAROPJJKGROSJE-UHFFFAOYSA-N
XLogP3.56
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.32
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[5-chloro-3-(1-methylpyrazol-4-yl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide?
The IUPAC name of 5-chloro-4-[5-chloro-3-(1-methylpyrazol-4-yl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide (CID 135356866) is 5-chloro-4-[5-chloro-3-(1-methylpyrazol-4-yl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide.
What is the SMILES notation for 5-chloro-4-[5-chloro-3-(1-methylpyrazol-4-yl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide?
The canonical SMILES for 5-chloro-4-[5-chloro-3-(1-methylpyrazol-4-yl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide is Cn1cc(-c2nn(-c3cc(F)c(C(=O)NS(C)(=O)=O)cc3Cl)c3ccc(Cl)cc23)cn1.
What is the InChIKey of 5-chloro-4-[5-chloro-3-(1-methylpyrazol-4-yl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide?
The InChIKey is NAROPJJKGROSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2FN5O3S/c1-26-9-10(8-23-26)18-13-5-11(20)3-4-16(13)27(24-18)17-7-15(22)12(6-14(17)21)19(28)25-31(2,29)30/h3-9H,1-2H3,(H,25,28).
What are the key properties of 5-chloro-4-[5-chloro-3-(1-methylpyrazol-4-yl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide?
5-chloro-4-[5-chloro-3-(1-methylpyrazol-4-yl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide has a molecular weight of 482.32 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[5-chloro-3-(1-methylpyrazol-4-yl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide is sourced from PubChem (CID 135356866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).