5-chloro-N-(3-methoxyphenyl)sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide

C14H13ClF3N3O4S — CID 139453001

IUPAC5-chloro-N-(3-methoxyphenyl)sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide
SMILESCOc1cccc(S(=O)(=O)NC(=O)c2ncn(CCC(F)(F)F)c2Cl)c1
InChIInChI=1S/C14H13ClF3N3O4S/c1-25-9-3-2-4-10(7-9)26(23,24)20-13(22)11-12(15)21(8-19-11)6-5-14(16,17)18/h2-4,7-8H,5-6H2,1H3,(H,20,22)
InChIKeyIVGQMLLOEKZXEC-UHFFFAOYSA-N
MW411.79 g/mol
LogP2.62
Rot. Bonds6

About 5-chloro-N-(3-methoxyphenyl)sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide

5-chloro-N-(3-methoxyphenyl)sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide (PubChem CID 139453001) has the molecular formula C14H13ClF3N3O4S and a molecular weight of 411.79 g/mol. Its IUPAC name is 5-chloro-N-(3-methoxyphenyl)sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-methoxyphenyl)sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide
PubChem CID139453001
Molecular FormulaC14H13ClF3N3O4S
Molecular Weight411.79 g/mol
Exact Mass411.03
IUPAC Name5-chloro-N-(3-methoxyphenyl)sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide
SMILESCOc1cccc(S(=O)(=O)NC(=O)c2ncn(CCC(F)(F)F)c2Cl)c1
InChIInChI=1S/C14H13ClF3N3O4S/c1-25-9-3-2-4-10(7-9)26(23,24)20-13(22)11-12(15)21(8-19-11)6-5-14(16,17)18/h2-4,7-8H,5-6H2,1H3,(H,20,22)
InChIKeyIVGQMLLOEKZXEC-UHFFFAOYSA-N
XLogP2.62
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.79
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-N-(3-methoxyphenyl)sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-methoxyphenyl)sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide?
The IUPAC name of 5-chloro-N-(3-methoxyphenyl)sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide (CID 139453001) is 5-chloro-N-(3-methoxyphenyl)sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-methoxyphenyl)sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-(3-methoxyphenyl)sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide is COc1cccc(S(=O)(=O)NC(=O)c2ncn(CCC(F)(F)F)c2Cl)c1.
What is the InChIKey of 5-chloro-N-(3-methoxyphenyl)sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide?
The InChIKey is IVGQMLLOEKZXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3N3O4S/c1-25-9-3-2-4-10(7-9)26(23,24)20-13(22)11-12(15)21(8-19-11)6-5-14(16,17)18/h2-4,7-8H,5-6H2,1H3,(H,20,22).
What are the key properties of 5-chloro-N-(3-methoxyphenyl)sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide?
5-chloro-N-(3-methoxyphenyl)sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide has a molecular weight of 411.79 g/mol, XLogP of 2.62, 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-methoxyphenyl)sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide is sourced from PubChem (CID 139453001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).