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

C18H12Cl2F3N3O3S — CID 152842079

IUPAC2-(2-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1-methylimidazole-4-carboxamide
SMILESCn1cc(C(=O)NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)nc1-c1ccccc1Cl
InChIInChI=1S/C18H12Cl2F3N3O3S/c1-26-9-14(24-16(26)11-4-2-3-5-12(11)19)17(27)25-30(28,29)15-8-10(18(21,22)23)6-7-13(15)20/h2-9H,1H3,(H,25,27)
InChIKeySZFGDPIYMNZNNK-UHFFFAOYSA-N
MW478.28 g/mol
LogP4.53
Rot. Bonds4

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

2-(2-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1-methylimidazole-4-carboxamide (PubChem CID 152842079) has the molecular formula C18H12Cl2F3N3O3S and a molecular weight of 478.28 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1-methylimidazole-4-carboxamide
PubChem CID152842079
Molecular FormulaC18H12Cl2F3N3O3S
Molecular Weight478.28 g/mol
Exact Mass476.99
IUPAC Name2-(2-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1-methylimidazole-4-carboxamide
SMILESCn1cc(C(=O)NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)nc1-c1ccccc1Cl
InChIInChI=1S/C18H12Cl2F3N3O3S/c1-26-9-14(24-16(26)11-4-2-3-5-12(11)19)17(27)25-30(28,29)15-8-10(18(21,22)23)6-7-13(15)20/h2-9H,1H3,(H,25,27)
InChIKeySZFGDPIYMNZNNK-UHFFFAOYSA-N
XLogP4.53
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.28
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenyl)-N-(2-iodophenyl)sulfonyl-1-methylimidazole-4-carboxamide
CID 155116564
N-(benzenesulfonyl)-2-(2-chlorophenyl)-1-methylimidazole-4-carboxamide
CID 155116240
N-(2-chlorophenyl)sulfonyl-2-(2-ethylsulfonylphenyl)-1-methylimidazole-4-carboxamide
CID 155116421
N-(2-chlorophenyl)sulfonyl-1-methyl-2-naphthalen-1-ylimidazole-4-carboxamide
CID 146335135
N-[2,5-bis(trifluoromethyl)phenyl]sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
CID 155116359
N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,3-dichlorophenyl)-1-methylimidazole-4-carboxamide
CID 155116595
2-(2,3-dichlorophenyl)-1-methyl-N-(2-methylphenyl)sulfonylimidazole-4-carboxamide
CID 130437812
2-(2,3-dichlorophenyl)-N-(2,5-dimethoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide
CID 130437691
2-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide
CID 155116327
N-(2,6-dichlorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
CID 147083151
N-(benzenesulfonyl)-2-(2-chloro-6-fluorophenyl)-1-methylimidazole-4-carboxamide
CID 147509340
N-(3,4-dichlorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
CID 148864284

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1-methylimidazole-4-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1-methylimidazole-4-carboxamide (CID 152842079) is 2-(2-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1-methylimidazole-4-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1-methylimidazole-4-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1-methylimidazole-4-carboxamide is Cn1cc(C(=O)NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)nc1-c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1-methylimidazole-4-carboxamide?
The InChIKey is SZFGDPIYMNZNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2F3N3O3S/c1-26-9-14(24-16(26)11-4-2-3-5-12(11)19)17(27)25-30(28,29)15-8-10(18(21,22)23)6-7-13(15)20/h2-9H,1H3,(H,25,27).
What are the key properties of 2-(2-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1-methylimidazole-4-carboxamide?
2-(2-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1-methylimidazole-4-carboxamide has a molecular weight of 478.28 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 152842079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).