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

C24H18Cl2N2O3S — CID 70797428

IUPAC2-(3-chlorophenyl)-N-[4-chloro-3-(1H-pyrrol-2-yl)phenyl]-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccc[nH]3)c2)c(-c2cccc(Cl)c2)c1
InChIInChI=1S/C24H18Cl2N2O3S/c1-32(30,31)18-8-9-19(20(14-18)15-4-2-5-16(25)12-15)24(29)28-17-7-10-22(26)21(13-17)23-6-3-11-27-23/h2-14,27H,1H3,(H,28,29)
InChIKeyLIADIHAYLSBWQE-UHFFFAOYSA-N
MW485.39 g/mol
LogP6.31
Rot. Bonds5

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

2-(3-chlorophenyl)-N-[4-chloro-3-(1H-pyrrol-2-yl)phenyl]-4-methylsulfonylbenzamide (PubChem CID 70797428) has the molecular formula C24H18Cl2N2O3S and a molecular weight of 485.39 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[4-chloro-3-(1H-pyrrol-2-yl)phenyl]-4-methylsulfonylbenzamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[4-chloro-3-(1H-pyrrol-2-yl)phenyl]-4-methylsulfonylbenzamide
PubChem CID70797428
Molecular FormulaC24H18Cl2N2O3S
Molecular Weight485.39 g/mol
Exact Mass484.04
IUPAC Name2-(3-chlorophenyl)-N-[4-chloro-3-(1H-pyrrol-2-yl)phenyl]-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccc[nH]3)c2)c(-c2cccc(Cl)c2)c1
InChIInChI=1S/C24H18Cl2N2O3S/c1-32(30,31)18-8-9-19(20(14-18)15-4-2-5-16(25)12-15)24(29)28-17-7-10-22(26)21(13-17)23-6-3-11-27-23/h2-14,27H,1H3,(H,28,29)
InChIKeyLIADIHAYLSBWQE-UHFFFAOYSA-N
XLogP6.31
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.39
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-3-(1H-pyrrol-2-yl)phenyl]-2-(3-methoxyphenyl)-4-methylsulfanylbenzamide
CID 123655059
N-[4-chloro-3-(1H-indazol-3-yl)phenyl]-2-(3-methylphenyl)-4-methylsulfonylbenzamide
CID 70797332
N-[4-chloro-3-(1H-indazol-3-yl)phenyl]-2-(4-chlorophenyl)-4-methylsulfonylbenzamide
CID 70797328
2-chloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-4-methylsulfonylbenzamide
CID 58006484
N-[4-chloro-3-(1-methylpyrazol-3-yl)phenyl]-2-(4-methylphenyl)-4-methylsulfonylbenzamide
CID 50912983
N-(4-chloro-3-pyridin-2-ylphenyl)-2-(2,3-dichlorophenyl)-4-methylsulfonylbenzamide
CID 70797228
N-(4-chloro-3-pyridin-2-ylphenyl)-2-(4-methoxy-3-methylphenyl)-4-methylsulfonylbenzamide
CID 70797287
2-(3-chloro-2-fluorophenyl)-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide
CID 70797233
N-(4-chloro-3-pyridin-2-ylphenyl)-2-(3-methoxy-2-methylphenyl)-4-methylsulfonylbenzamide
CID 70797280
2-acetamido-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-methylsulfonylbenzamide
CID 70933669
2-chloro-N-(4-chloro-3-iodophenyl)-4-methylsulfonylbenzamide
CID 121004678
N-(3-chloro-4-methylphenyl)-2-methyl-5-methylsulfonylbenzamide
CID 26087165

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[4-chloro-3-(1H-pyrrol-2-yl)phenyl]-4-methylsulfonylbenzamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[4-chloro-3-(1H-pyrrol-2-yl)phenyl]-4-methylsulfonylbenzamide (CID 70797428) is 2-(3-chlorophenyl)-N-[4-chloro-3-(1H-pyrrol-2-yl)phenyl]-4-methylsulfonylbenzamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[4-chloro-3-(1H-pyrrol-2-yl)phenyl]-4-methylsulfonylbenzamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[4-chloro-3-(1H-pyrrol-2-yl)phenyl]-4-methylsulfonylbenzamide is CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccc[nH]3)c2)c(-c2cccc(Cl)c2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[4-chloro-3-(1H-pyrrol-2-yl)phenyl]-4-methylsulfonylbenzamide?
The InChIKey is LIADIHAYLSBWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N2O3S/c1-32(30,31)18-8-9-19(20(14-18)15-4-2-5-16(25)12-15)24(29)28-17-7-10-22(26)21(13-17)23-6-3-11-27-23/h2-14,27H,1H3,(H,28,29).
What are the key properties of 2-(3-chlorophenyl)-N-[4-chloro-3-(1H-pyrrol-2-yl)phenyl]-4-methylsulfonylbenzamide?
2-(3-chlorophenyl)-N-[4-chloro-3-(1H-pyrrol-2-yl)phenyl]-4-methylsulfonylbenzamide has a molecular weight of 485.39 g/mol, XLogP of 6.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[4-chloro-3-(1H-pyrrol-2-yl)phenyl]-4-methylsulfonylbenzamide is sourced from PubChem (CID 70797428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).