5-chloro-N-(3-chlorophenyl)sulfonyl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide

C17H10Cl2F3N3O3S — CID 139453335

IUPAC5-chloro-N-(3-chlorophenyl)sulfonyl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide
SMILESO=C(NS(=O)(=O)c1cccc(Cl)c1)c1ncn(-c2ccccc2C(F)(F)F)c1Cl
InChIInChI=1S/C17H10Cl2F3N3O3S/c18-10-4-3-5-11(8-10)29(27,28)24-16(26)14-15(19)25(9-23-14)13-7-2-1-6-12(13)17(20,21)22/h1-9H,(H,24,26)
InChIKeyLAESYJVMKCKRRU-UHFFFAOYSA-N
MW464.25 g/mol
LogP4.32
Rot. Bonds4

About 5-chloro-N-(3-chlorophenyl)sulfonyl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide

5-chloro-N-(3-chlorophenyl)sulfonyl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide (PubChem CID 139453335) has the molecular formula C17H10Cl2F3N3O3S and a molecular weight of 464.25 g/mol. Its IUPAC name is 5-chloro-N-(3-chlorophenyl)sulfonyl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-chlorophenyl)sulfonyl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide
PubChem CID139453335
Molecular FormulaC17H10Cl2F3N3O3S
Molecular Weight464.25 g/mol
Exact Mass462.98
IUPAC Name5-chloro-N-(3-chlorophenyl)sulfonyl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide
SMILESO=C(NS(=O)(=O)c1cccc(Cl)c1)c1ncn(-c2ccccc2C(F)(F)F)c1Cl
InChIInChI=1S/C17H10Cl2F3N3O3S/c18-10-4-3-5-11(8-10)29(27,28)24-16(26)14-15(19)25(9-23-14)13-7-2-1-6-12(13)17(20,21)22/h1-9H,(H,24,26)
InChIKeyLAESYJVMKCKRRU-UHFFFAOYSA-N
XLogP4.32
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.25
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-chlorophenyl)sulfonyl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The IUPAC name of 5-chloro-N-(3-chlorophenyl)sulfonyl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide (CID 139453335) is 5-chloro-N-(3-chlorophenyl)sulfonyl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-chlorophenyl)sulfonyl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-(3-chlorophenyl)sulfonyl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide is O=C(NS(=O)(=O)c1cccc(Cl)c1)c1ncn(-c2ccccc2C(F)(F)F)c1Cl.
What is the InChIKey of 5-chloro-N-(3-chlorophenyl)sulfonyl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The InChIKey is LAESYJVMKCKRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2F3N3O3S/c18-10-4-3-5-11(8-10)29(27,28)24-16(26)14-15(19)25(9-23-14)13-7-2-1-6-12(13)17(20,21)22/h1-9H,(H,24,26).
What are the key properties of 5-chloro-N-(3-chlorophenyl)sulfonyl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
5-chloro-N-(3-chlorophenyl)sulfonyl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide has a molecular weight of 464.25 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-chlorophenyl)sulfonyl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 139453335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).