1-(3-chloro-5-fluorophenyl)-N-(2-chloro-5-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide

C18H14Cl2FN3O4S — CID 139452989

IUPAC1-(3-chloro-5-fluorophenyl)-N-(2-chloro-5-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn(-c3cc(F)cc(Cl)c3)c(C)n2)c1
InChIInChI=1S/C18H14Cl2FN3O4S/c1-10-22-16(9-24(10)13-6-11(19)5-12(21)7-13)18(25)23-29(26,27)17-8-14(28-2)3-4-15(17)20/h3-9H,1-2H3,(H,23,25)
InChIKeyLYJVEQOXAHMMPO-UHFFFAOYSA-N
MW458.30 g/mol
LogP3.75
Rot. Bonds5

About 1-(3-chloro-5-fluorophenyl)-N-(2-chloro-5-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide

1-(3-chloro-5-fluorophenyl)-N-(2-chloro-5-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide (PubChem CID 139452989) has the molecular formula C18H14Cl2FN3O4S and a molecular weight of 458.30 g/mol. Its IUPAC name is 1-(3-chloro-5-fluorophenyl)-N-(2-chloro-5-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-5-fluorophenyl)-N-(2-chloro-5-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide
PubChem CID139452989
Molecular FormulaC18H14Cl2FN3O4S
Molecular Weight458.30 g/mol
Exact Mass457.01
IUPAC Name1-(3-chloro-5-fluorophenyl)-N-(2-chloro-5-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn(-c3cc(F)cc(Cl)c3)c(C)n2)c1
InChIInChI=1S/C18H14Cl2FN3O4S/c1-10-22-16(9-24(10)13-6-11(19)5-12(21)7-13)18(25)23-29(26,27)17-8-14(28-2)3-4-15(17)20/h3-9H,1-2H3,(H,23,25)
InChIKeyLYJVEQOXAHMMPO-UHFFFAOYSA-N
XLogP3.75
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.30
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-fluorophenyl)-N-(2-chloro-5-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide?
The IUPAC name of 1-(3-chloro-5-fluorophenyl)-N-(2-chloro-5-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide (CID 139452989) is 1-(3-chloro-5-fluorophenyl)-N-(2-chloro-5-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-5-fluorophenyl)-N-(2-chloro-5-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide?
The canonical SMILES for 1-(3-chloro-5-fluorophenyl)-N-(2-chloro-5-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide is COc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn(-c3cc(F)cc(Cl)c3)c(C)n2)c1.
What is the InChIKey of 1-(3-chloro-5-fluorophenyl)-N-(2-chloro-5-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide?
The InChIKey is LYJVEQOXAHMMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2FN3O4S/c1-10-22-16(9-24(10)13-6-11(19)5-12(21)7-13)18(25)23-29(26,27)17-8-14(28-2)3-4-15(17)20/h3-9H,1-2H3,(H,23,25).
What are the key properties of 1-(3-chloro-5-fluorophenyl)-N-(2-chloro-5-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide?
1-(3-chloro-5-fluorophenyl)-N-(2-chloro-5-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide has a molecular weight of 458.30 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-fluorophenyl)-N-(2-chloro-5-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide is sourced from PubChem (CID 139452989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).