1-(3,5-difluorophenyl)-N-(4-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide

C18H15F2N3O4S — CID 139453333

IUPAC1-(3,5-difluorophenyl)-N-(4-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)c2cn(-c3cc(F)cc(F)c3)c(C)n2)cc1
InChIInChI=1S/C18H15F2N3O4S/c1-11-21-17(10-23(11)14-8-12(19)7-13(20)9-14)18(24)22-28(25,26)16-5-3-15(27-2)4-6-16/h3-10H,1-2H3,(H,22,24)
InChIKeyKXVSIXFNESQNAZ-UHFFFAOYSA-N
MW407.40 g/mol
LogP2.59
Rot. Bonds5

About 1-(3,5-difluorophenyl)-N-(4-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide

1-(3,5-difluorophenyl)-N-(4-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide (PubChem CID 139453333) has the molecular formula C18H15F2N3O4S and a molecular weight of 407.40 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-(4-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-(4-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide
PubChem CID139453333
Molecular FormulaC18H15F2N3O4S
Molecular Weight407.40 g/mol
Exact Mass407.08
IUPAC Name1-(3,5-difluorophenyl)-N-(4-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)c2cn(-c3cc(F)cc(F)c3)c(C)n2)cc1
InChIInChI=1S/C18H15F2N3O4S/c1-11-21-17(10-23(11)14-8-12(19)7-13(20)9-14)18(24)22-28(25,26)16-5-3-15(27-2)4-6-16/h3-10H,1-2H3,(H,22,24)
InChIKeyKXVSIXFNESQNAZ-UHFFFAOYSA-N
XLogP2.59
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-(4-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide?
The IUPAC name of 1-(3,5-difluorophenyl)-N-(4-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide (CID 139453333) is 1-(3,5-difluorophenyl)-N-(4-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-(4-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-(4-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide is COc1ccc(S(=O)(=O)NC(=O)c2cn(-c3cc(F)cc(F)c3)c(C)n2)cc1.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-(4-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide?
The InChIKey is KXVSIXFNESQNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O4S/c1-11-21-17(10-23(11)14-8-12(19)7-13(20)9-14)18(24)22-28(25,26)16-5-3-15(27-2)4-6-16/h3-10H,1-2H3,(H,22,24).
What are the key properties of 1-(3,5-difluorophenyl)-N-(4-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide?
1-(3,5-difluorophenyl)-N-(4-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide has a molecular weight of 407.40 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-N-(4-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide is sourced from PubChem (CID 139453333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).