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

C22H15Cl3FN3O3S — CID 135357057

IUPAC5-chloro-4-[3-chloro-5-(4-chloro-2-methylphenyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide
SMILESCc1cc(Cl)ccc1-c1ccc2c(c1)c(Cl)nn2-c1cc(F)c(C(=O)NS(C)(=O)=O)cc1Cl
InChIInChI=1S/C22H15Cl3FN3O3S/c1-11-7-13(23)4-5-14(11)12-3-6-19-16(8-12)21(25)27-29(19)20-10-18(26)15(9-17(20)24)22(30)28-33(2,31)32/h3-10H,1-2H3,(H,28,30)
InChIKeyUWDMGQGXDCFCAO-UHFFFAOYSA-N
MW526.80 g/mol
LogP5.79
Rot. Bonds4

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

5-chloro-4-[3-chloro-5-(4-chloro-2-methylphenyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide (PubChem CID 135357057) has the molecular formula C22H15Cl3FN3O3S and a molecular weight of 526.80 g/mol. Its IUPAC name is 5-chloro-4-[3-chloro-5-(4-chloro-2-methylphenyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name5-chloro-4-[3-chloro-5-(4-chloro-2-methylphenyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide
PubChem CID135357057
Molecular FormulaC22H15Cl3FN3O3S
Molecular Weight526.80 g/mol
Exact Mass524.99
IUPAC Name5-chloro-4-[3-chloro-5-(4-chloro-2-methylphenyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide
SMILESCc1cc(Cl)ccc1-c1ccc2c(c1)c(Cl)nn2-c1cc(F)c(C(=O)NS(C)(=O)=O)cc1Cl
InChIInChI=1S/C22H15Cl3FN3O3S/c1-11-7-13(23)4-5-14(11)12-3-6-19-16(8-12)21(25)27-29(19)20-10-18(26)15(9-17(20)24)22(30)28-33(2,31)32/h3-10H,1-2H3,(H,28,30)
InChIKeyUWDMGQGXDCFCAO-UHFFFAOYSA-N
XLogP5.79
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.80
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-[5-chloro-3-(4-methylphenyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide
CID 160591998
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
5-chloro-2-fluoro-4-(5-fluoro-3-pyridin-3-ylindazol-1-yl)-N-methylsulfonylbenzamide
CID 135356885
5-chloro-2-fluoro-4-[3-(2-methoxyphenyl)indazol-1-yl]-N-methylsulfonylbenzamide
CID 122458685
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-chloro-2-fluorophenyl)indazol-1-yl]-2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 135356820
5-chloro-4-[5-chloro-3-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-2-fluoro-N-methylsulfonylbenzamide
CID 135357061
methyl 1-[2-chloro-5-fluoro-4-(methylsulfonylcarbamoyl)phenyl]-6-phenylmethoxyindazole-3-carboxylate
CID 122458775
4-[5-chloro-3-(2,4-difluorophenyl)indazol-1-yl]-3-cyano-N-methylsulfonylbenzamide
CID 122458634

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[3-chloro-5-(4-chloro-2-methylphenyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide?
The IUPAC name of 5-chloro-4-[3-chloro-5-(4-chloro-2-methylphenyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide (CID 135357057) is 5-chloro-4-[3-chloro-5-(4-chloro-2-methylphenyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide.
What is the SMILES notation for 5-chloro-4-[3-chloro-5-(4-chloro-2-methylphenyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide?
The canonical SMILES for 5-chloro-4-[3-chloro-5-(4-chloro-2-methylphenyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide is Cc1cc(Cl)ccc1-c1ccc2c(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-(4-chloro-2-methylphenyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide?
The InChIKey is UWDMGQGXDCFCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl3FN3O3S/c1-11-7-13(23)4-5-14(11)12-3-6-19-16(8-12)21(25)27-29(19)20-10-18(26)15(9-17(20)24)22(30)28-33(2,31)32/h3-10H,1-2H3,(H,28,30).
What are the key properties of 5-chloro-4-[3-chloro-5-(4-chloro-2-methylphenyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide?
5-chloro-4-[3-chloro-5-(4-chloro-2-methylphenyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide has a molecular weight of 526.80 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[3-chloro-5-(4-chloro-2-methylphenyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide is sourced from PubChem (CID 135357057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).