N-(4-methoxyphenyl)sulfonyl-1-(2,2,2-trifluoroethyl)imidazole-4-carboxamide

C13H12F3N3O4S — CID 139452905

IUPACN-(4-methoxyphenyl)sulfonyl-1-(2,2,2-trifluoroethyl)imidazole-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)c2cn(CC(F)(F)F)cn2)cc1
InChIInChI=1S/C13H12F3N3O4S/c1-23-9-2-4-10(5-3-9)24(21,22)18-12(20)11-6-19(8-17-11)7-13(14,15)16/h2-6,8H,7H2,1H3,(H,18,20)
InChIKeyPAKXQHFFGGCQPI-UHFFFAOYSA-N
MW363.32 g/mol
LogP1.57
Rot. Bonds5

About N-(4-methoxyphenyl)sulfonyl-1-(2,2,2-trifluoroethyl)imidazole-4-carboxamide

N-(4-methoxyphenyl)sulfonyl-1-(2,2,2-trifluoroethyl)imidazole-4-carboxamide (PubChem CID 139452905) has the molecular formula C13H12F3N3O4S and a molecular weight of 363.32 g/mol. Its IUPAC name is N-(4-methoxyphenyl)sulfonyl-1-(2,2,2-trifluoroethyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)sulfonyl-1-(2,2,2-trifluoroethyl)imidazole-4-carboxamide
PubChem CID139452905
Molecular FormulaC13H12F3N3O4S
Molecular Weight363.32 g/mol
Exact Mass363.05
IUPAC NameN-(4-methoxyphenyl)sulfonyl-1-(2,2,2-trifluoroethyl)imidazole-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)c2cn(CC(F)(F)F)cn2)cc1
InChIInChI=1S/C13H12F3N3O4S/c1-23-9-2-4-10(5-3-9)24(21,22)18-12(20)11-6-19(8-17-11)7-13(14,15)16/h2-6,8H,7H2,1H3,(H,18,20)
InChIKeyPAKXQHFFGGCQPI-UHFFFAOYSA-N
XLogP1.57
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)sulfonyl-1-(2,2,2-trifluoroethyl)imidazole-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)sulfonyl-1-(2,2,2-trifluoroethyl)imidazole-4-carboxamide (CID 139452905) is N-(4-methoxyphenyl)sulfonyl-1-(2,2,2-trifluoroethyl)imidazole-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)sulfonyl-1-(2,2,2-trifluoroethyl)imidazole-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)sulfonyl-1-(2,2,2-trifluoroethyl)imidazole-4-carboxamide is COc1ccc(S(=O)(=O)NC(=O)c2cn(CC(F)(F)F)cn2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)sulfonyl-1-(2,2,2-trifluoroethyl)imidazole-4-carboxamide?
The InChIKey is PAKXQHFFGGCQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O4S/c1-23-9-2-4-10(5-3-9)24(21,22)18-12(20)11-6-19(8-17-11)7-13(14,15)16/h2-6,8H,7H2,1H3,(H,18,20).
What are the key properties of N-(4-methoxyphenyl)sulfonyl-1-(2,2,2-trifluoroethyl)imidazole-4-carboxamide?
N-(4-methoxyphenyl)sulfonyl-1-(2,2,2-trifluoroethyl)imidazole-4-carboxamide has a molecular weight of 363.32 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)sulfonyl-1-(2,2,2-trifluoroethyl)imidazole-4-carboxamide is sourced from PubChem (CID 139452905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).