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

C19H18Cl2FN3O4S — CID 122458711

IUPAC5-chloro-4-[3-chloro-5-(2-methylpropoxy)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide
SMILESCC(C)COc1ccc2c(c1)c(Cl)nn2-c1cc(F)c(C(=O)NS(C)(=O)=O)cc1Cl
InChIInChI=1S/C19H18Cl2FN3O4S/c1-10(2)9-29-11-4-5-16-13(6-11)18(21)23-25(16)17-8-15(22)12(7-14(17)20)19(26)24-30(3,27)28/h4-8,10H,9H2,1-3H3,(H,24,26)
InChIKeyCMNWBWXDRLJNHJ-UHFFFAOYSA-N
MW474.34 g/mol
LogP4.20
Rot. Bonds6

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

5-chloro-4-[3-chloro-5-(2-methylpropoxy)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide (PubChem CID 122458711) has the molecular formula C19H18Cl2FN3O4S and a molecular weight of 474.34 g/mol. Its IUPAC name is 5-chloro-4-[3-chloro-5-(2-methylpropoxy)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name5-chloro-4-[3-chloro-5-(2-methylpropoxy)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide
PubChem CID122458711
Molecular FormulaC19H18Cl2FN3O4S
Molecular Weight474.34 g/mol
Exact Mass473.04
IUPAC Name5-chloro-4-[3-chloro-5-(2-methylpropoxy)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide
SMILESCC(C)COc1ccc2c(c1)c(Cl)nn2-c1cc(F)c(C(=O)NS(C)(=O)=O)cc1Cl
InChIInChI=1S/C19H18Cl2FN3O4S/c1-10(2)9-29-11-4-5-16-13(6-11)18(21)23-25(16)17-8-15(22)12(7-14(17)20)19(26)24-30(3,27)28/h4-8,10H,9H2,1-3H3,(H,24,26)
InChIKeyCMNWBWXDRLJNHJ-UHFFFAOYSA-N
XLogP4.20
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.34
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
methyl 1-[2-chloro-5-fluoro-4-(methylsulfonylcarbamoyl)phenyl]-6-phenylmethoxyindazole-3-carboxylate
CID 122458775
5-chloro-4-[5-chloro-3-(4-methylphenyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide
CID 160591998
5-chloro-2-fluoro-4-[3-(2-methoxyphenyl)indazol-1-yl]-N-methylsulfonylbenzamide
CID 122458685
5-chloro-4-[5-chloro-3-[4-(trifluoromethyl)phenyl]indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide
CID 135356895
5-chloro-2-fluoro-4-(5-fluoro-3-pyridin-3-ylindazol-1-yl)-N-methylsulfonylbenzamide
CID 135356885
4-[(3,4-dichlorophenoxy)methyl]-2,5-difluoro-N-methylsulfonylbenzamide
CID 66667669
5-chloro-4-[5-chloro-3-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-2-fluoro-N-methylsulfonylbenzamide
CID 135357061
4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]amino]-5-ethanimidoyl-2-fluoro-N-methylsulfonylbenzamide
CID 129177733
5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-(methylsulfamoyl)benzamide
CID 72949434
5-chloro-4-[3-(4-chloro-2-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-2-fluoro-N-methylsulfonylbenzamide
CID 135357113

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[3-chloro-5-(2-methylpropoxy)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide?
The IUPAC name of 5-chloro-4-[3-chloro-5-(2-methylpropoxy)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide (CID 122458711) is 5-chloro-4-[3-chloro-5-(2-methylpropoxy)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide.
What is the SMILES notation for 5-chloro-4-[3-chloro-5-(2-methylpropoxy)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide?
The canonical SMILES for 5-chloro-4-[3-chloro-5-(2-methylpropoxy)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide is CC(C)COc1ccc2c(c1)c(Cl)nn2-c1cc(F)c(C(=O)NS(C)(=O)=O)cc1Cl.
What is the InChIKey of 5-chloro-4-[3-chloro-5-(2-methylpropoxy)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide?
The InChIKey is CMNWBWXDRLJNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2FN3O4S/c1-10(2)9-29-11-4-5-16-13(6-11)18(21)23-25(16)17-8-15(22)12(7-14(17)20)19(26)24-30(3,27)28/h4-8,10H,9H2,1-3H3,(H,24,26).
What are the key properties of 5-chloro-4-[3-chloro-5-(2-methylpropoxy)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide?
5-chloro-4-[3-chloro-5-(2-methylpropoxy)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide has a molecular weight of 474.34 g/mol, XLogP of 4.20, 6 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-methylpropoxy)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide is sourced from PubChem (CID 122458711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).