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

C13H11ClF3N3O4S — CID 139452928

IUPACN-(benzenesulfonyl)-5-chloro-1-[2-(trifluoromethoxy)ethyl]imidazole-4-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1ncn(CCOC(F)(F)F)c1Cl
InChIInChI=1S/C13H11ClF3N3O4S/c14-11-10(18-8-20(11)6-7-24-13(15,16)17)12(21)19-25(22,23)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,19,21)
InChIKeyISAKGLKURVWJDK-UHFFFAOYSA-N
MW397.76 g/mol
LogP2.19
Rot. Bonds6

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

N-(benzenesulfonyl)-5-chloro-1-[2-(trifluoromethoxy)ethyl]imidazole-4-carboxamide (PubChem CID 139452928) has the molecular formula C13H11ClF3N3O4S and a molecular weight of 397.76 g/mol. Its IUPAC name is N-(benzenesulfonyl)-5-chloro-1-[2-(trifluoromethoxy)ethyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-5-chloro-1-[2-(trifluoromethoxy)ethyl]imidazole-4-carboxamide
PubChem CID139452928
Molecular FormulaC13H11ClF3N3O4S
Molecular Weight397.76 g/mol
Exact Mass397.01
IUPAC NameN-(benzenesulfonyl)-5-chloro-1-[2-(trifluoromethoxy)ethyl]imidazole-4-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1ncn(CCOC(F)(F)F)c1Cl
InChIInChI=1S/C13H11ClF3N3O4S/c14-11-10(18-8-20(11)6-7-24-13(15,16)17)12(21)19-25(22,23)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,19,21)
InChIKeyISAKGLKURVWJDK-UHFFFAOYSA-N
XLogP2.19
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.76
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-5-chloro-1-[2-(trifluoromethoxy)ethyl]imidazole-4-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-5-chloro-1-[2-(trifluoromethoxy)ethyl]imidazole-4-carboxamide (CID 139452928) is N-(benzenesulfonyl)-5-chloro-1-[2-(trifluoromethoxy)ethyl]imidazole-4-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-5-chloro-1-[2-(trifluoromethoxy)ethyl]imidazole-4-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-5-chloro-1-[2-(trifluoromethoxy)ethyl]imidazole-4-carboxamide is O=C(NS(=O)(=O)c1ccccc1)c1ncn(CCOC(F)(F)F)c1Cl.
What is the InChIKey of N-(benzenesulfonyl)-5-chloro-1-[2-(trifluoromethoxy)ethyl]imidazole-4-carboxamide?
The InChIKey is ISAKGLKURVWJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N3O4S/c14-11-10(18-8-20(11)6-7-24-13(15,16)17)12(21)19-25(22,23)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,19,21).
What are the key properties of N-(benzenesulfonyl)-5-chloro-1-[2-(trifluoromethoxy)ethyl]imidazole-4-carboxamide?
N-(benzenesulfonyl)-5-chloro-1-[2-(trifluoromethoxy)ethyl]imidazole-4-carboxamide has a molecular weight of 397.76 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-5-chloro-1-[2-(trifluoromethoxy)ethyl]imidazole-4-carboxamide is sourced from PubChem (CID 139452928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).