N-(5-chlorothiophen-2-yl)sulfonyl-1-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-methylimidazole-4-carboxamide

C17H12Cl2F3N3O3S2 — CID 56983162

IUPACN-(5-chlorothiophen-2-yl)sulfonyl-1-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-methylimidazole-4-carboxamide
SMILESCc1nc(C(=O)NS(=O)(=O)c2ccc(Cl)s2)cn1Cc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C17H12Cl2F3N3O3S2/c1-9-23-13(16(26)24-30(27,28)15-5-4-14(19)29-15)8-25(9)7-10-2-3-11(6-12(10)18)17(20,21)22/h2-6,8H,7H2,1H3,(H,24,26)
InChIKeyNXVASAVFVQJOQR-UHFFFAOYSA-N
MW498.34 g/mol
LogP4.75
Rot. Bonds5

About N-(5-chlorothiophen-2-yl)sulfonyl-1-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-methylimidazole-4-carboxamide

N-(5-chlorothiophen-2-yl)sulfonyl-1-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-methylimidazole-4-carboxamide (PubChem CID 56983162) has the molecular formula C17H12Cl2F3N3O3S2 and a molecular weight of 498.34 g/mol. Its IUPAC name is N-(5-chlorothiophen-2-yl)sulfonyl-1-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chlorothiophen-2-yl)sulfonyl-1-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-methylimidazole-4-carboxamide
PubChem CID56983162
Molecular FormulaC17H12Cl2F3N3O3S2
Molecular Weight498.34 g/mol
Exact Mass496.96
IUPAC NameN-(5-chlorothiophen-2-yl)sulfonyl-1-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-methylimidazole-4-carboxamide
SMILESCc1nc(C(=O)NS(=O)(=O)c2ccc(Cl)s2)cn1Cc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C17H12Cl2F3N3O3S2/c1-9-23-13(16(26)24-30(27,28)15-5-4-14(19)29-15)8-25(9)7-10-2-3-11(6-12(10)18)17(20,21)22/h2-6,8H,7H2,1H3,(H,24,26)
InChIKeyNXVASAVFVQJOQR-UHFFFAOYSA-N
XLogP4.75
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.34
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-chlorothiophen-2-yl)sulfonyl-1-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-methylimidazole-4-carboxamide?
The IUPAC name of N-(5-chlorothiophen-2-yl)sulfonyl-1-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-methylimidazole-4-carboxamide (CID 56983162) is N-(5-chlorothiophen-2-yl)sulfonyl-1-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(5-chlorothiophen-2-yl)sulfonyl-1-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-methylimidazole-4-carboxamide?
The canonical SMILES for N-(5-chlorothiophen-2-yl)sulfonyl-1-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-methylimidazole-4-carboxamide is Cc1nc(C(=O)NS(=O)(=O)c2ccc(Cl)s2)cn1Cc1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-(5-chlorothiophen-2-yl)sulfonyl-1-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-methylimidazole-4-carboxamide?
The InChIKey is NXVASAVFVQJOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2F3N3O3S2/c1-9-23-13(16(26)24-30(27,28)15-5-4-14(19)29-15)8-25(9)7-10-2-3-11(6-12(10)18)17(20,21)22/h2-6,8H,7H2,1H3,(H,24,26).
What are the key properties of N-(5-chlorothiophen-2-yl)sulfonyl-1-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-methylimidazole-4-carboxamide?
N-(5-chlorothiophen-2-yl)sulfonyl-1-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-methylimidazole-4-carboxamide has a molecular weight of 498.34 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chlorothiophen-2-yl)sulfonyl-1-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-methylimidazole-4-carboxamide is sourced from PubChem (CID 56983162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).