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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Related Compounds

5-chloro-4-[5-chloro-3-(4-methylphenyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide
CID 160591998
5-chloro-2-fluoro-4-(5-fluoro-3-pyridin-3-ylindazol-1-yl)-N-methylsulfonylbenzamide
CID 135356885
5-chloro-4-[3-chloro-5-(2-fluoro-3-pyridinyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide
CID 122458705
5-chloro-4-[3-chloro-5-(4-chloro-2-methylphenyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide
CID 135357057
5-chloro-4-[5-chloro-3-[4-(trifluoromethyl)phenyl]indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide
CID 135356895
5-chloro-4-[5-chloro-3-(1-methylpyrazol-4-yl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide
CID 135356866
5-chloro-4-[3-chloro-5-(2-methylpropoxy)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide
CID 122458711
methyl 1-[2-chloro-5-fluoro-4-(methylsulfonylcarbamoyl)phenyl]-6-phenylmethoxyindazole-3-carboxylate
CID 122458775
5-chloro-4-[3-(4-chloro-2-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-2-fluoro-N-methylsulfonylbenzamide
CID 135357113
5-chloro-4-[5-chloro-3-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-2-fluoro-N-methylsulfonylbenzamide
CID 135357061
5-chloro-2-fluoro-N-methylsulfonyl-4-[3-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridin-1-yl]benzamide
CID 135357087
4-[5-chloro-3-[2-(trifluoromethyl)phenyl]indazol-1-yl]-3-cyano-N-methylsulfonylbenzamide
CID 135357199

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).