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

C22H17ClFN3O4S — CID 122458685

IUPAC5-chloro-2-fluoro-4-[3-(2-methoxyphenyl)indazol-1-yl]-N-methylsulfonylbenzamide
SMILESCOc1ccccc1-c1nn(-c2cc(F)c(C(=O)NS(C)(=O)=O)cc2Cl)c2ccccc12
InChIInChI=1S/C22H17ClFN3O4S/c1-31-20-10-6-4-8-14(20)21-13-7-3-5-9-18(13)27(25-21)19-12-17(24)15(11-16(19)23)22(28)26-32(2,29)30/h3-12H,1-2H3,(H,26,28)
InChIKeyYXZOSMGRGHRIGL-UHFFFAOYSA-N
MW473.91 g/mol
LogP4.18
Rot. Bonds5

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

5-chloro-2-fluoro-4-[3-(2-methoxyphenyl)indazol-1-yl]-N-methylsulfonylbenzamide (PubChem CID 122458685) has the molecular formula C22H17ClFN3O4S and a molecular weight of 473.91 g/mol. Its IUPAC name is 5-chloro-2-fluoro-4-[3-(2-methoxyphenyl)indazol-1-yl]-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-4-[3-(2-methoxyphenyl)indazol-1-yl]-N-methylsulfonylbenzamide
PubChem CID122458685
Molecular FormulaC22H17ClFN3O4S
Molecular Weight473.91 g/mol
Exact Mass473.06
IUPAC Name5-chloro-2-fluoro-4-[3-(2-methoxyphenyl)indazol-1-yl]-N-methylsulfonylbenzamide
SMILESCOc1ccccc1-c1nn(-c2cc(F)c(C(=O)NS(C)(=O)=O)cc2Cl)c2ccccc12
InChIInChI=1S/C22H17ClFN3O4S/c1-31-20-10-6-4-8-14(20)21-13-7-3-5-9-18(13)27(25-21)19-12-17(24)15(11-16(19)23)22(28)26-32(2,29)30/h3-12H,1-2H3,(H,26,28)
InChIKeyYXZOSMGRGHRIGL-UHFFFAOYSA-N
XLogP4.18
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.91
LogP ≤ 54.18
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-(2-methoxyphenyl)indazol-1-yl]-N-methylsulfonylbenzamide?
The IUPAC name of 5-chloro-2-fluoro-4-[3-(2-methoxyphenyl)indazol-1-yl]-N-methylsulfonylbenzamide (CID 122458685) is 5-chloro-2-fluoro-4-[3-(2-methoxyphenyl)indazol-1-yl]-N-methylsulfonylbenzamide.
What is the SMILES notation for 5-chloro-2-fluoro-4-[3-(2-methoxyphenyl)indazol-1-yl]-N-methylsulfonylbenzamide?
The canonical SMILES for 5-chloro-2-fluoro-4-[3-(2-methoxyphenyl)indazol-1-yl]-N-methylsulfonylbenzamide is COc1ccccc1-c1nn(-c2cc(F)c(C(=O)NS(C)(=O)=O)cc2Cl)c2ccccc12.
What is the InChIKey of 5-chloro-2-fluoro-4-[3-(2-methoxyphenyl)indazol-1-yl]-N-methylsulfonylbenzamide?
The InChIKey is YXZOSMGRGHRIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN3O4S/c1-31-20-10-6-4-8-14(20)21-13-7-3-5-9-18(13)27(25-21)19-12-17(24)15(11-16(19)23)22(28)26-32(2,29)30/h3-12H,1-2H3,(H,26,28).
What are the key properties of 5-chloro-2-fluoro-4-[3-(2-methoxyphenyl)indazol-1-yl]-N-methylsulfonylbenzamide?
5-chloro-2-fluoro-4-[3-(2-methoxyphenyl)indazol-1-yl]-N-methylsulfonylbenzamide has a molecular weight of 473.91 g/mol, XLogP of 4.18, 5 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-(2-methoxyphenyl)indazol-1-yl]-N-methylsulfonylbenzamide is sourced from PubChem (CID 122458685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).