N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-imidazol-1-ylethylsulfonyl)benzamide

C23H19ClN4O3S — CID 58614949

IUPACN-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-imidazol-1-ylethylsulfonyl)benzamide
SMILESO=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)CCn2ccnc2)cc1
InChIInChI=1S/C23H19ClN4O3S/c24-21-9-6-18(15-20(21)22-3-1-2-10-26-22)27-23(29)17-4-7-19(8-5-17)32(30,31)14-13-28-12-11-25-16-28/h1-12,15-16H,13-14H2,(H,27,29)
InChIKeyJYPWHUMWBZGYIE-UHFFFAOYSA-N
MW466.95 g/mol
LogP4.32
Rot. Bonds7

About N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-imidazol-1-ylethylsulfonyl)benzamide

N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-imidazol-1-ylethylsulfonyl)benzamide (PubChem CID 58614949) has the molecular formula C23H19ClN4O3S and a molecular weight of 466.95 g/mol. Its IUPAC name is N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-imidazol-1-ylethylsulfonyl)benzamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-imidazol-1-ylethylsulfonyl)benzamide
PubChem CID58614949
Molecular FormulaC23H19ClN4O3S
Molecular Weight466.95 g/mol
Exact Mass466.09
IUPAC NameN-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-imidazol-1-ylethylsulfonyl)benzamide
SMILESO=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)CCn2ccnc2)cc1
InChIInChI=1S/C23H19ClN4O3S/c24-21-9-6-18(15-20(21)22-3-1-2-10-26-22)27-23(29)17-4-7-19(8-5-17)32(30,31)14-13-28-12-11-25-16-28/h1-12,15-16H,13-14H2,(H,27,29)
InChIKeyJYPWHUMWBZGYIE-UHFFFAOYSA-N
XLogP4.32
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.95
LogP ≤ 54.32
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-imidazol-1-ylethylsulfonyl)benzamide?
The IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-imidazol-1-ylethylsulfonyl)benzamide (CID 58614949) is N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-imidazol-1-ylethylsulfonyl)benzamide.
What is the SMILES notation for N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-imidazol-1-ylethylsulfonyl)benzamide?
The canonical SMILES for N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-imidazol-1-ylethylsulfonyl)benzamide is O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)CCn2ccnc2)cc1.
What is the InChIKey of N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-imidazol-1-ylethylsulfonyl)benzamide?
The InChIKey is JYPWHUMWBZGYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O3S/c24-21-9-6-18(15-20(21)22-3-1-2-10-26-22)27-23(29)17-4-7-19(8-5-17)32(30,31)14-13-28-12-11-25-16-28/h1-12,15-16H,13-14H2,(H,27,29).
What are the key properties of N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-imidazol-1-ylethylsulfonyl)benzamide?
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-imidazol-1-ylethylsulfonyl)benzamide has a molecular weight of 466.95 g/mol, XLogP of 4.32, 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-imidazol-1-ylethylsulfonyl)benzamide is sourced from PubChem (CID 58614949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).