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

C15H15ClF3N3O4S — CID 139453097

IUPAC5-chloro-N-(4-ethoxyphenyl)sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide
SMILESCCOc1ccc(S(=O)(=O)NC(=O)c2ncn(CCC(F)(F)F)c2Cl)cc1
InChIInChI=1S/C15H15ClF3N3O4S/c1-2-26-10-3-5-11(6-4-10)27(24,25)21-14(23)12-13(16)22(9-20-12)8-7-15(17,18)19/h3-6,9H,2,7-8H2,1H3,(H,21,23)
InChIKeyZBCOEPIZXQUXAI-UHFFFAOYSA-N
MW425.82 g/mol
LogP3.01
Rot. Bonds7

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

5-chloro-N-(4-ethoxyphenyl)sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide (PubChem CID 139453097) has the molecular formula C15H15ClF3N3O4S and a molecular weight of 425.82 g/mol. Its IUPAC name is 5-chloro-N-(4-ethoxyphenyl)sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-ethoxyphenyl)sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide
PubChem CID139453097
Molecular FormulaC15H15ClF3N3O4S
Molecular Weight425.82 g/mol
Exact Mass425.04
IUPAC Name5-chloro-N-(4-ethoxyphenyl)sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide
SMILESCCOc1ccc(S(=O)(=O)NC(=O)c2ncn(CCC(F)(F)F)c2Cl)cc1
InChIInChI=1S/C15H15ClF3N3O4S/c1-2-26-10-3-5-11(6-4-10)27(24,25)21-14(23)12-13(16)22(9-20-12)8-7-15(17,18)19/h3-6,9H,2,7-8H2,1H3,(H,21,23)
InChIKeyZBCOEPIZXQUXAI-UHFFFAOYSA-N
XLogP3.01
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.82
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-ethoxyphenyl)sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide?
The IUPAC name of 5-chloro-N-(4-ethoxyphenyl)sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide (CID 139453097) is 5-chloro-N-(4-ethoxyphenyl)sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-ethoxyphenyl)sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-(4-ethoxyphenyl)sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide is CCOc1ccc(S(=O)(=O)NC(=O)c2ncn(CCC(F)(F)F)c2Cl)cc1.
What is the InChIKey of 5-chloro-N-(4-ethoxyphenyl)sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide?
The InChIKey is ZBCOEPIZXQUXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3N3O4S/c1-2-26-10-3-5-11(6-4-10)27(24,25)21-14(23)12-13(16)22(9-20-12)8-7-15(17,18)19/h3-6,9H,2,7-8H2,1H3,(H,21,23).
What are the key properties of 5-chloro-N-(4-ethoxyphenyl)sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide?
5-chloro-N-(4-ethoxyphenyl)sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide has a molecular weight of 425.82 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-ethoxyphenyl)sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide is sourced from PubChem (CID 139453097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).