5-chloro-N-(4-methoxyphenyl)sulfonyl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-carboxamide

C14H13ClF3N3O5S — CID 139452940

IUPAC5-chloro-N-(4-methoxyphenyl)sulfonyl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)c2ncn(CCOC(F)(F)F)c2Cl)cc1
InChIInChI=1S/C14H13ClF3N3O5S/c1-25-9-2-4-10(5-3-9)27(23,24)20-13(22)11-12(15)21(8-19-11)6-7-26-14(16,17)18/h2-5,8H,6-7H2,1H3,(H,20,22)
InChIKeyKARBAXGPOOYOKZ-UHFFFAOYSA-N
MW427.79 g/mol
LogP2.20
Rot. Bonds7

About 5-chloro-N-(4-methoxyphenyl)sulfonyl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-carboxamide

5-chloro-N-(4-methoxyphenyl)sulfonyl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-carboxamide (PubChem CID 139452940) has the molecular formula C14H13ClF3N3O5S and a molecular weight of 427.79 g/mol. Its IUPAC name is 5-chloro-N-(4-methoxyphenyl)sulfonyl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-methoxyphenyl)sulfonyl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-carboxamide
PubChem CID139452940
Molecular FormulaC14H13ClF3N3O5S
Molecular Weight427.79 g/mol
Exact Mass427.02
IUPAC Name5-chloro-N-(4-methoxyphenyl)sulfonyl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)c2ncn(CCOC(F)(F)F)c2Cl)cc1
InChIInChI=1S/C14H13ClF3N3O5S/c1-25-9-2-4-10(5-3-9)27(23,24)20-13(22)11-12(15)21(8-19-11)6-7-26-14(16,17)18/h2-5,8H,6-7H2,1H3,(H,20,22)
InChIKeyKARBAXGPOOYOKZ-UHFFFAOYSA-N
XLogP2.20
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.79
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-methoxyphenyl)sulfonyl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-carboxamide?
The IUPAC name of 5-chloro-N-(4-methoxyphenyl)sulfonyl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-carboxamide (CID 139452940) is 5-chloro-N-(4-methoxyphenyl)sulfonyl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-methoxyphenyl)sulfonyl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-(4-methoxyphenyl)sulfonyl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-carboxamide is COc1ccc(S(=O)(=O)NC(=O)c2ncn(CCOC(F)(F)F)c2Cl)cc1.
What is the InChIKey of 5-chloro-N-(4-methoxyphenyl)sulfonyl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-carboxamide?
The InChIKey is KARBAXGPOOYOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3N3O5S/c1-25-9-2-4-10(5-3-9)27(23,24)20-13(22)11-12(15)21(8-19-11)6-7-26-14(16,17)18/h2-5,8H,6-7H2,1H3,(H,20,22).
What are the key properties of 5-chloro-N-(4-methoxyphenyl)sulfonyl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-carboxamide?
5-chloro-N-(4-methoxyphenyl)sulfonyl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-carboxamide has a molecular weight of 427.79 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-methoxyphenyl)sulfonyl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-carboxamide is sourced from PubChem (CID 139452940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).