5-chloro-N-(3-chlorophenyl)sulfonyl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-carboxamide

C13H10Cl2F3N3O4S — CID 139452876

IUPAC5-chloro-N-(3-chlorophenyl)sulfonyl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-carboxamide
SMILESO=C(NS(=O)(=O)c1cccc(Cl)c1)c1ncn(CCOC(F)(F)F)c1Cl
InChIInChI=1S/C13H10Cl2F3N3O4S/c14-8-2-1-3-9(6-8)26(23,24)20-12(22)10-11(15)21(7-19-10)4-5-25-13(16,17)18/h1-3,6-7H,4-5H2,(H,20,22)
InChIKeyPBXQCSIVCURIPU-UHFFFAOYSA-N
MW432.21 g/mol
LogP2.85
Rot. Bonds6

About 5-chloro-N-(3-chlorophenyl)sulfonyl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-carboxamide

5-chloro-N-(3-chlorophenyl)sulfonyl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-carboxamide (PubChem CID 139452876) has the molecular formula C13H10Cl2F3N3O4S and a molecular weight of 432.21 g/mol. Its IUPAC name is 5-chloro-N-(3-chlorophenyl)sulfonyl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-chlorophenyl)sulfonyl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-carboxamide
PubChem CID139452876
Molecular FormulaC13H10Cl2F3N3O4S
Molecular Weight432.21 g/mol
Exact Mass430.97
IUPAC Name5-chloro-N-(3-chlorophenyl)sulfonyl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-carboxamide
SMILESO=C(NS(=O)(=O)c1cccc(Cl)c1)c1ncn(CCOC(F)(F)F)c1Cl
InChIInChI=1S/C13H10Cl2F3N3O4S/c14-8-2-1-3-9(6-8)26(23,24)20-12(22)10-11(15)21(7-19-10)4-5-25-13(16,17)18/h1-3,6-7H,4-5H2,(H,20,22)
InChIKeyPBXQCSIVCURIPU-UHFFFAOYSA-N
XLogP2.85
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.21
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-chlorophenyl)sulfonyl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-carboxamide?
The IUPAC name of 5-chloro-N-(3-chlorophenyl)sulfonyl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-carboxamide (CID 139452876) is 5-chloro-N-(3-chlorophenyl)sulfonyl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-chlorophenyl)sulfonyl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-(3-chlorophenyl)sulfonyl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-carboxamide is O=C(NS(=O)(=O)c1cccc(Cl)c1)c1ncn(CCOC(F)(F)F)c1Cl.
What is the InChIKey of 5-chloro-N-(3-chlorophenyl)sulfonyl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-carboxamide?
The InChIKey is PBXQCSIVCURIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2F3N3O4S/c14-8-2-1-3-9(6-8)26(23,24)20-12(22)10-11(15)21(7-19-10)4-5-25-13(16,17)18/h1-3,6-7H,4-5H2,(H,20,22).
What are the key properties of 5-chloro-N-(3-chlorophenyl)sulfonyl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-carboxamide?
5-chloro-N-(3-chlorophenyl)sulfonyl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-carboxamide has a molecular weight of 432.21 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-chlorophenyl)sulfonyl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-carboxamide is sourced from PubChem (CID 139452876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).