N-(2-chloro-5-methoxyphenyl)sulfonyl-4-(2,6-difluorophenyl)-1,5-dimethylimidazole-2-carboxamide

C19H16ClF2N3O4S — CID 155116118

IUPACN-(2-chloro-5-methoxyphenyl)sulfonyl-4-(2,6-difluorophenyl)-1,5-dimethylimidazole-2-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2nc(-c3c(F)cccc3F)c(C)n2C)c1
InChIInChI=1S/C19H16ClF2N3O4S/c1-10-17(16-13(21)5-4-6-14(16)22)23-18(25(10)2)19(26)24-30(27,28)15-9-11(29-3)7-8-12(15)20/h4-9H,1-3H3,(H,24,26)
InChIKeyWSUHDFBGGSCDNC-UHFFFAOYSA-N
MW455.87 g/mol
LogP3.45
Rot. Bonds5

About N-(2-chloro-5-methoxyphenyl)sulfonyl-4-(2,6-difluorophenyl)-1,5-dimethylimidazole-2-carboxamide

N-(2-chloro-5-methoxyphenyl)sulfonyl-4-(2,6-difluorophenyl)-1,5-dimethylimidazole-2-carboxamide (PubChem CID 155116118) has the molecular formula C19H16ClF2N3O4S and a molecular weight of 455.87 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)sulfonyl-4-(2,6-difluorophenyl)-1,5-dimethylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)sulfonyl-4-(2,6-difluorophenyl)-1,5-dimethylimidazole-2-carboxamide
PubChem CID155116118
Molecular FormulaC19H16ClF2N3O4S
Molecular Weight455.87 g/mol
Exact Mass455.05
IUPAC NameN-(2-chloro-5-methoxyphenyl)sulfonyl-4-(2,6-difluorophenyl)-1,5-dimethylimidazole-2-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2nc(-c3c(F)cccc3F)c(C)n2C)c1
InChIInChI=1S/C19H16ClF2N3O4S/c1-10-17(16-13(21)5-4-6-14(16)22)23-18(25(10)2)19(26)24-30(27,28)15-9-11(29-3)7-8-12(15)20/h4-9H,1-3H3,(H,24,26)
InChIKeyWSUHDFBGGSCDNC-UHFFFAOYSA-N
XLogP3.45
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.87
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfonyl-4-(2,6-difluorophenyl)-1,5-dimethylimidazole-2-carboxamide?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfonyl-4-(2,6-difluorophenyl)-1,5-dimethylimidazole-2-carboxamide (CID 155116118) is N-(2-chloro-5-methoxyphenyl)sulfonyl-4-(2,6-difluorophenyl)-1,5-dimethylimidazole-2-carboxamide.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)sulfonyl-4-(2,6-difluorophenyl)-1,5-dimethylimidazole-2-carboxamide?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)sulfonyl-4-(2,6-difluorophenyl)-1,5-dimethylimidazole-2-carboxamide is COc1ccc(Cl)c(S(=O)(=O)NC(=O)c2nc(-c3c(F)cccc3F)c(C)n2C)c1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)sulfonyl-4-(2,6-difluorophenyl)-1,5-dimethylimidazole-2-carboxamide?
The InChIKey is WSUHDFBGGSCDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF2N3O4S/c1-10-17(16-13(21)5-4-6-14(16)22)23-18(25(10)2)19(26)24-30(27,28)15-9-11(29-3)7-8-12(15)20/h4-9H,1-3H3,(H,24,26).
What are the key properties of N-(2-chloro-5-methoxyphenyl)sulfonyl-4-(2,6-difluorophenyl)-1,5-dimethylimidazole-2-carboxamide?
N-(2-chloro-5-methoxyphenyl)sulfonyl-4-(2,6-difluorophenyl)-1,5-dimethylimidazole-2-carboxamide has a molecular weight of 455.87 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methoxyphenyl)sulfonyl-4-(2,6-difluorophenyl)-1,5-dimethylimidazole-2-carboxamide is sourced from PubChem (CID 155116118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).