N-[4-chloro-3-(1H-indazol-3-yl)phenyl]-2-(4-chlorophenyl)-4-methylsulfonylbenzamide

C27H19Cl2N3O3S — CID 70797328

IUPACN-[4-chloro-3-(1H-indazol-3-yl)phenyl]-2-(4-chlorophenyl)-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3n[nH]c4ccccc34)c2)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C27H19Cl2N3O3S/c1-36(34,35)19-11-12-20(22(15-19)16-6-8-17(28)9-7-16)27(33)30-18-10-13-24(29)23(14-18)26-21-4-2-3-5-25(21)31-32-26/h2-15H,1H3,(H,30,33)(H,31,32)
InChIKeyBCBJOZUQJHLUMC-UHFFFAOYSA-N
MW536.44 g/mol
LogP6.86
Rot. Bonds5

About N-[4-chloro-3-(1H-indazol-3-yl)phenyl]-2-(4-chlorophenyl)-4-methylsulfonylbenzamide

N-[4-chloro-3-(1H-indazol-3-yl)phenyl]-2-(4-chlorophenyl)-4-methylsulfonylbenzamide (PubChem CID 70797328) has the molecular formula C27H19Cl2N3O3S and a molecular weight of 536.44 g/mol. Its IUPAC name is N-[4-chloro-3-(1H-indazol-3-yl)phenyl]-2-(4-chlorophenyl)-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(1H-indazol-3-yl)phenyl]-2-(4-chlorophenyl)-4-methylsulfonylbenzamide
PubChem CID70797328
Molecular FormulaC27H19Cl2N3O3S
Molecular Weight536.44 g/mol
Exact Mass535.05
IUPAC NameN-[4-chloro-3-(1H-indazol-3-yl)phenyl]-2-(4-chlorophenyl)-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3n[nH]c4ccccc34)c2)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C27H19Cl2N3O3S/c1-36(34,35)19-11-12-20(22(15-19)16-6-8-17(28)9-7-16)27(33)30-18-10-13-24(29)23(14-18)26-21-4-2-3-5-25(21)31-32-26/h2-15H,1H3,(H,30,33)(H,31,32)
InChIKeyBCBJOZUQJHLUMC-UHFFFAOYSA-N
XLogP6.86
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.44
LogP ≤ 56.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-(1H-indazol-3-yl)phenyl]-2-(3-methylphenyl)-4-methylsulfonylbenzamide
CID 70797332
2-chloro-N-[3-(1H-indazol-3-yl)phenyl]-4-methylsulfonylbenzamide
CID 50914465
N-[4-chloro-3-(1-methylpyrazol-3-yl)phenyl]-2-(4-methylphenyl)-4-methylsulfonylbenzamide
CID 50912983
2-(3-chlorophenyl)-N-[4-chloro-3-(1H-pyrrol-2-yl)phenyl]-4-methylsulfonylbenzamide
CID 70797428
2-acetamido-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-methylsulfonylbenzamide
CID 70933669
N-(4-chloro-3-pyridin-2-ylphenyl)-2-(4-methoxy-3-methylphenyl)-4-methylsulfonylbenzamide
CID 70797287
N-(4-chloro-3-pyridin-2-ylphenyl)-2-(2,3-dichlorophenyl)-4-methylsulfonylbenzamide
CID 70797228
3-(4-methylsulfonylphenyl)-1H-indazole
CID 72895811
2-(3-chloro-2-fluorophenyl)-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide
CID 70797233
2-chloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-4-methylsulfonylbenzamide
CID 58006484
N-(4-chloro-3-pyridin-2-ylphenyl)-2-(3-methoxy-2-methylphenyl)-4-methylsulfonylbenzamide
CID 70797280
N-(4-chloro-3-pyridin-2-ylphenyl)-2-(2-fluoro-4-methoxyphenyl)-4-methylsulfonylbenzamide
CID 70797407

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(1H-indazol-3-yl)phenyl]-2-(4-chlorophenyl)-4-methylsulfonylbenzamide?
The IUPAC name of N-[4-chloro-3-(1H-indazol-3-yl)phenyl]-2-(4-chlorophenyl)-4-methylsulfonylbenzamide (CID 70797328) is N-[4-chloro-3-(1H-indazol-3-yl)phenyl]-2-(4-chlorophenyl)-4-methylsulfonylbenzamide.
What is the SMILES notation for N-[4-chloro-3-(1H-indazol-3-yl)phenyl]-2-(4-chlorophenyl)-4-methylsulfonylbenzamide?
The canonical SMILES for N-[4-chloro-3-(1H-indazol-3-yl)phenyl]-2-(4-chlorophenyl)-4-methylsulfonylbenzamide is CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3n[nH]c4ccccc34)c2)c(-c2ccc(Cl)cc2)c1.
What is the InChIKey of N-[4-chloro-3-(1H-indazol-3-yl)phenyl]-2-(4-chlorophenyl)-4-methylsulfonylbenzamide?
The InChIKey is BCBJOZUQJHLUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19Cl2N3O3S/c1-36(34,35)19-11-12-20(22(15-19)16-6-8-17(28)9-7-16)27(33)30-18-10-13-24(29)23(14-18)26-21-4-2-3-5-25(21)31-32-26/h2-15H,1H3,(H,30,33)(H,31,32).
What are the key properties of N-[4-chloro-3-(1H-indazol-3-yl)phenyl]-2-(4-chlorophenyl)-4-methylsulfonylbenzamide?
N-[4-chloro-3-(1H-indazol-3-yl)phenyl]-2-(4-chlorophenyl)-4-methylsulfonylbenzamide has a molecular weight of 536.44 g/mol, XLogP of 6.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(1H-indazol-3-yl)phenyl]-2-(4-chlorophenyl)-4-methylsulfonylbenzamide is sourced from PubChem (CID 70797328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).