2-chloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-4-methylsulfonylbenzamide

C23H17Cl2N3O3S — CID 58006484

IUPAC2-chloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ncc(-c4ccccc4)[nH]3)c2)c(Cl)c1
InChIInChI=1S/C23H17Cl2N3O3S/c1-32(30,31)16-8-9-17(20(25)12-16)23(29)27-15-7-10-19(24)18(11-15)22-26-13-21(28-22)14-5-3-2-4-6-14/h2-13H,1H3,(H,26,28)(H,27,29)
InChIKeyKKADZMQXVFFSHF-UHFFFAOYSA-N
MW486.38 g/mol
LogP5.71
Rot. Bonds5

About 2-chloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-4-methylsulfonylbenzamide

2-chloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-4-methylsulfonylbenzamide (PubChem CID 58006484) has the molecular formula C23H17Cl2N3O3S and a molecular weight of 486.38 g/mol. Its IUPAC name is 2-chloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-4-methylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-4-methylsulfonylbenzamide
PubChem CID58006484
Molecular FormulaC23H17Cl2N3O3S
Molecular Weight486.38 g/mol
Exact Mass485.04
IUPAC Name2-chloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ncc(-c4ccccc4)[nH]3)c2)c(Cl)c1
InChIInChI=1S/C23H17Cl2N3O3S/c1-32(30,31)16-8-9-17(20(25)12-16)23(29)27-15-7-10-19(24)18(11-15)22-26-13-21(28-22)14-5-3-2-4-6-14/h2-13H,1H3,(H,26,28)(H,27,29)
InChIKeyKKADZMQXVFFSHF-UHFFFAOYSA-N
XLogP5.71
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.38
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dichloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide
CID 58006486
N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-methoxy-2-methylpyridine-3-carboxamide
CID 58006454
N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-2-methyl-3-propan-2-yloxybenzamide
CID 58006451
2-chloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-methylbenzamide
CID 58006485
N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]quinoline-3-carboxamide
CID 24789075
N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-5-fluoropyridine-3-carboxamide
CID 58006446
2-bromo-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]pyridine-4-carboxamide;N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-3-fluoropyridine-4-carboxamide
CID 174577479
N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-phenoxypyridine-3-carboxamide
CID 58006536
N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-2-propoxypyridine-4-carboxamide
CID 58006497
2-chloro-N-(4-chloro-3-pyridin-2-yl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-4-(trideuterio(113C)methylsulfonyl)benzamide
CID 91971550
2-chloro-N-(4-chloro-3-iodophenyl)-4-methylsulfonylbenzamide
CID 121004678
2-chloro-N-[4-chloro-3-(5-cyclohexa-1,3-dien-1-yl-1H-imidazol-2-yl)phenyl]-4-propan-2-yloxybenzamide
CID 71131190

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-4-methylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-4-methylsulfonylbenzamide (CID 58006484) is 2-chloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-4-methylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-4-methylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-4-methylsulfonylbenzamide is CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ncc(-c4ccccc4)[nH]3)c2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-4-methylsulfonylbenzamide?
The InChIKey is KKADZMQXVFFSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N3O3S/c1-32(30,31)16-8-9-17(20(25)12-16)23(29)27-15-7-10-19(24)18(11-15)22-26-13-21(28-22)14-5-3-2-4-6-14/h2-13H,1H3,(H,26,28)(H,27,29).
What are the key properties of 2-chloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-4-methylsulfonylbenzamide?
2-chloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-4-methylsulfonylbenzamide has a molecular weight of 486.38 g/mol, XLogP of 5.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-4-methylsulfonylbenzamide is sourced from PubChem (CID 58006484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).