4-(2-chlorophenyl)-N-(2-chlorophenyl)sulfonyl-5-methyl-1H-imidazole-2-carboxamide

C17H13Cl2N3O3S — CID 155116290

IUPAC4-(2-chlorophenyl)-N-(2-chlorophenyl)sulfonyl-5-methyl-1H-imidazole-2-carboxamide
SMILESCc1[nH]c(C(=O)NS(=O)(=O)c2ccccc2Cl)nc1-c1ccccc1Cl
InChIInChI=1S/C17H13Cl2N3O3S/c1-10-15(11-6-2-3-7-12(11)18)21-16(20-10)17(23)22-26(24,25)14-9-5-4-8-13(14)19/h2-9H,1H3,(H,20,21)(H,22,23)
InChIKeyADKKQDRIMGWXIY-UHFFFAOYSA-N
MW410.28 g/mol
LogP3.81
Rot. Bonds4

About 4-(2-chlorophenyl)-N-(2-chlorophenyl)sulfonyl-5-methyl-1H-imidazole-2-carboxamide

4-(2-chlorophenyl)-N-(2-chlorophenyl)sulfonyl-5-methyl-1H-imidazole-2-carboxamide (PubChem CID 155116290) has the molecular formula C17H13Cl2N3O3S and a molecular weight of 410.28 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-(2-chlorophenyl)sulfonyl-5-methyl-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-(2-chlorophenyl)sulfonyl-5-methyl-1H-imidazole-2-carboxamide
PubChem CID155116290
Molecular FormulaC17H13Cl2N3O3S
Molecular Weight410.28 g/mol
Exact Mass409.01
IUPAC Name4-(2-chlorophenyl)-N-(2-chlorophenyl)sulfonyl-5-methyl-1H-imidazole-2-carboxamide
SMILESCc1[nH]c(C(=O)NS(=O)(=O)c2ccccc2Cl)nc1-c1ccccc1Cl
InChIInChI=1S/C17H13Cl2N3O3S/c1-10-15(11-6-2-3-7-12(11)18)21-16(20-10)17(23)22-26(24,25)14-9-5-4-8-13(14)19/h2-9H,1H3,(H,20,21)(H,22,23)
InChIKeyADKKQDRIMGWXIY-UHFFFAOYSA-N
XLogP3.81
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.28
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-(2-chlorophenyl)sulfonyl-5-methyl-1H-imidazole-2-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-N-(2-chlorophenyl)sulfonyl-5-methyl-1H-imidazole-2-carboxamide (CID 155116290) is 4-(2-chlorophenyl)-N-(2-chlorophenyl)sulfonyl-5-methyl-1H-imidazole-2-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-(2-chlorophenyl)sulfonyl-5-methyl-1H-imidazole-2-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-(2-chlorophenyl)sulfonyl-5-methyl-1H-imidazole-2-carboxamide is Cc1[nH]c(C(=O)NS(=O)(=O)c2ccccc2Cl)nc1-c1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)-N-(2-chlorophenyl)sulfonyl-5-methyl-1H-imidazole-2-carboxamide?
The InChIKey is ADKKQDRIMGWXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O3S/c1-10-15(11-6-2-3-7-12(11)18)21-16(20-10)17(23)22-26(24,25)14-9-5-4-8-13(14)19/h2-9H,1H3,(H,20,21)(H,22,23).
What are the key properties of 4-(2-chlorophenyl)-N-(2-chlorophenyl)sulfonyl-5-methyl-1H-imidazole-2-carboxamide?
4-(2-chlorophenyl)-N-(2-chlorophenyl)sulfonyl-5-methyl-1H-imidazole-2-carboxamide has a molecular weight of 410.28 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-(2-chlorophenyl)sulfonyl-5-methyl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 155116290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).