N-(2-chlorophenyl)sulfonyl-1-[2-(trifluoromethoxy)phenyl]imidazole-4-carboxamide

C17H11ClF3N3O4S — CID 139452935

IUPACN-(2-chlorophenyl)sulfonyl-1-[2-(trifluoromethoxy)phenyl]imidazole-4-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1Cl)c1cn(-c2ccccc2OC(F)(F)F)cn1
InChIInChI=1S/C17H11ClF3N3O4S/c18-11-5-1-4-8-15(11)29(26,27)23-16(25)12-9-24(10-22-12)13-6-2-3-7-14(13)28-17(19,20)21/h1-10H,(H,23,25)
InChIKeyDTESKYUMOAZSEU-UHFFFAOYSA-N
MW445.81 g/mol
LogP3.54
Rot. Bonds5

About N-(2-chlorophenyl)sulfonyl-1-[2-(trifluoromethoxy)phenyl]imidazole-4-carboxamide

N-(2-chlorophenyl)sulfonyl-1-[2-(trifluoromethoxy)phenyl]imidazole-4-carboxamide (PubChem CID 139452935) has the molecular formula C17H11ClF3N3O4S and a molecular weight of 445.81 g/mol. Its IUPAC name is N-(2-chlorophenyl)sulfonyl-1-[2-(trifluoromethoxy)phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)sulfonyl-1-[2-(trifluoromethoxy)phenyl]imidazole-4-carboxamide
PubChem CID139452935
Molecular FormulaC17H11ClF3N3O4S
Molecular Weight445.81 g/mol
Exact Mass445.01
IUPAC NameN-(2-chlorophenyl)sulfonyl-1-[2-(trifluoromethoxy)phenyl]imidazole-4-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1Cl)c1cn(-c2ccccc2OC(F)(F)F)cn1
InChIInChI=1S/C17H11ClF3N3O4S/c18-11-5-1-4-8-15(11)29(26,27)23-16(25)12-9-24(10-22-12)13-6-2-3-7-14(13)28-17(19,20)21/h1-10H,(H,23,25)
InChIKeyDTESKYUMOAZSEU-UHFFFAOYSA-N
XLogP3.54
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.81
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)sulfonyl-1-[2-(trifluoromethoxy)phenyl]imidazole-4-carboxamide?
The IUPAC name of N-(2-chlorophenyl)sulfonyl-1-[2-(trifluoromethoxy)phenyl]imidazole-4-carboxamide (CID 139452935) is N-(2-chlorophenyl)sulfonyl-1-[2-(trifluoromethoxy)phenyl]imidazole-4-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)sulfonyl-1-[2-(trifluoromethoxy)phenyl]imidazole-4-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)sulfonyl-1-[2-(trifluoromethoxy)phenyl]imidazole-4-carboxamide is O=C(NS(=O)(=O)c1ccccc1Cl)c1cn(-c2ccccc2OC(F)(F)F)cn1.
What is the InChIKey of N-(2-chlorophenyl)sulfonyl-1-[2-(trifluoromethoxy)phenyl]imidazole-4-carboxamide?
The InChIKey is DTESKYUMOAZSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3N3O4S/c18-11-5-1-4-8-15(11)29(26,27)23-16(25)12-9-24(10-22-12)13-6-2-3-7-14(13)28-17(19,20)21/h1-10H,(H,23,25).
What are the key properties of N-(2-chlorophenyl)sulfonyl-1-[2-(trifluoromethoxy)phenyl]imidazole-4-carboxamide?
N-(2-chlorophenyl)sulfonyl-1-[2-(trifluoromethoxy)phenyl]imidazole-4-carboxamide has a molecular weight of 445.81 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)sulfonyl-1-[2-(trifluoromethoxy)phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 139452935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).