N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(4-methylimidazol-1-yl)ethylsulfonyl]benzamide

C24H21ClN4O3S — CID 58614870

IUPACN-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(4-methylimidazol-1-yl)ethylsulfonyl]benzamide
SMILESCc1cn(CCS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cc2)cn1
InChIInChI=1S/C24H21ClN4O3S/c1-17-15-29(16-27-17)12-13-33(31,32)20-8-5-18(6-9-20)24(30)28-19-7-10-22(25)21(14-19)23-4-2-3-11-26-23/h2-11,14-16H,12-13H2,1H3,(H,28,30)
InChIKeyXIPMCWDARKEARD-UHFFFAOYSA-N
MW480.98 g/mol
LogP4.63
Rot. Bonds7

About N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(4-methylimidazol-1-yl)ethylsulfonyl]benzamide

N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(4-methylimidazol-1-yl)ethylsulfonyl]benzamide (PubChem CID 58614870) has the molecular formula C24H21ClN4O3S and a molecular weight of 480.98 g/mol. Its IUPAC name is N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(4-methylimidazol-1-yl)ethylsulfonyl]benzamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(4-methylimidazol-1-yl)ethylsulfonyl]benzamide
PubChem CID58614870
Molecular FormulaC24H21ClN4O3S
Molecular Weight480.98 g/mol
Exact Mass480.10
IUPAC NameN-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(4-methylimidazol-1-yl)ethylsulfonyl]benzamide
SMILESCc1cn(CCS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cc2)cn1
InChIInChI=1S/C24H21ClN4O3S/c1-17-15-29(16-27-17)12-13-33(31,32)20-8-5-18(6-9-20)24(30)28-19-7-10-22(25)21(14-19)23-4-2-3-11-26-23/h2-11,14-16H,12-13H2,1H3,(H,28,30)
InChIKeyXIPMCWDARKEARD-UHFFFAOYSA-N
XLogP4.63
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.98
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(4-methylimidazol-1-yl)ethylsulfonyl]benzamide?
The IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(4-methylimidazol-1-yl)ethylsulfonyl]benzamide (CID 58614870) is N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(4-methylimidazol-1-yl)ethylsulfonyl]benzamide.
What is the SMILES notation for N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(4-methylimidazol-1-yl)ethylsulfonyl]benzamide?
The canonical SMILES for N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(4-methylimidazol-1-yl)ethylsulfonyl]benzamide is Cc1cn(CCS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cc2)cn1.
What is the InChIKey of N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(4-methylimidazol-1-yl)ethylsulfonyl]benzamide?
The InChIKey is XIPMCWDARKEARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O3S/c1-17-15-29(16-27-17)12-13-33(31,32)20-8-5-18(6-9-20)24(30)28-19-7-10-22(25)21(14-19)23-4-2-3-11-26-23/h2-11,14-16H,12-13H2,1H3,(H,28,30).
What are the key properties of N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(4-methylimidazol-1-yl)ethylsulfonyl]benzamide?
N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(4-methylimidazol-1-yl)ethylsulfonyl]benzamide has a molecular weight of 480.98 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(4-methylimidazol-1-yl)ethylsulfonyl]benzamide is sourced from PubChem (CID 58614870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).