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

C22H16Cl2FN3O3S — CID 122458653

IUPAC5-chloro-4-[3-chloro-5-(3-methylphenyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide
SMILESCc1cccc(-c2ccc3c(c2)c(Cl)nn3-c2cc(F)c(C(=O)NS(C)(=O)=O)cc2Cl)c1
InChIInChI=1S/C22H16Cl2FN3O3S/c1-12-4-3-5-13(8-12)14-6-7-19-16(9-14)21(24)26-28(19)20-11-18(25)15(10-17(20)23)22(29)27-32(2,30)31/h3-11H,1-2H3,(H,27,29)
InChIKeyIFLQCWVHOXWWBB-UHFFFAOYSA-N
MW492.36 g/mol
LogP5.14
Rot. Bonds4

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

5-chloro-4-[3-chloro-5-(3-methylphenyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide (PubChem CID 122458653) has the molecular formula C22H16Cl2FN3O3S and a molecular weight of 492.36 g/mol. Its IUPAC name is 5-chloro-4-[3-chloro-5-(3-methylphenyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name5-chloro-4-[3-chloro-5-(3-methylphenyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide
PubChem CID122458653
Molecular FormulaC22H16Cl2FN3O3S
Molecular Weight492.36 g/mol
Exact Mass491.03
IUPAC Name5-chloro-4-[3-chloro-5-(3-methylphenyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide
SMILESCc1cccc(-c2ccc3c(c2)c(Cl)nn3-c2cc(F)c(C(=O)NS(C)(=O)=O)cc2Cl)c1
InChIInChI=1S/C22H16Cl2FN3O3S/c1-12-4-3-5-13(8-12)14-6-7-19-16(9-14)21(24)26-28(19)20-11-18(25)15(10-17(20)23)22(29)27-32(2,30)31/h3-11H,1-2H3,(H,27,29)
InChIKeyIFLQCWVHOXWWBB-UHFFFAOYSA-N
XLogP5.14
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.36
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropylsulfonyl-1-[(3R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]pyrrolidin-3-yl]-6-fluoro-3-methylindazole-5-carboxamide
CID 129177689
5-chloro-4-[5-(4-chloro-2-fluorophenyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide
CID 137632548
5-chloro-4-[3-chloro-5-(3-chloro-2-fluorophenyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide
CID 137636977
5-chloro-4-[3-chloro-5-(2,5-difluorophenyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide
CID 137637389
5-chloro-4-[5-(3-chlorophenyl)-3-fluoroindazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide
CID 137637515
5-chloro-2-fluoro-4-[3-fluoro-5-(2-methylphenyl)indazol-1-yl]-N-methylsulfonylbenzamide
CID 137639538
5-chloro-4-[3-chloro-5-(3,4,5-trifluorophenyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide
CID 137642297
5-chloro-4-[3-chloro-5-(4-chloro-3-fluorophenyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide
CID 137645311
5-chloro-4-[5-(3-chlorophenyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide
CID 137655495
5-chloro-2-fluoro-4-[3-fluoro-5-(3-fluorophenyl)indazol-1-yl]-N-methylsulfonylbenzamide
CID 137658700
5-chloro-2-fluoro-4-[3-fluoro-5-(3-methylphenyl)indazol-1-yl]-N-methylsulfonylbenzamide
CID 137661415
4-[5-[Bis(4-chlorophenyl)methyl]-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indazol-1-yl]benzamide
CID 132471035

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[3-chloro-5-(3-methylphenyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide?
The IUPAC name of 5-chloro-4-[3-chloro-5-(3-methylphenyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide (CID 122458653) is 5-chloro-4-[3-chloro-5-(3-methylphenyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide.
What is the SMILES notation for 5-chloro-4-[3-chloro-5-(3-methylphenyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide?
The canonical SMILES for 5-chloro-4-[3-chloro-5-(3-methylphenyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide is Cc1cccc(-c2ccc3c(c2)c(Cl)nn3-c2cc(F)c(C(=O)NS(C)(=O)=O)cc2Cl)c1.
What is the InChIKey of 5-chloro-4-[3-chloro-5-(3-methylphenyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide?
The InChIKey is IFLQCWVHOXWWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2FN3O3S/c1-12-4-3-5-13(8-12)14-6-7-19-16(9-14)21(24)26-28(19)20-11-18(25)15(10-17(20)23)22(29)27-32(2,30)31/h3-11H,1-2H3,(H,27,29).
What are the key properties of 5-chloro-4-[3-chloro-5-(3-methylphenyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide?
5-chloro-4-[3-chloro-5-(3-methylphenyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide has a molecular weight of 492.36 g/mol, XLogP of 5.14, 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-(3-methylphenyl)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide is sourced from PubChem (CID 122458653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).