2-(2,6-difluorophenyl)-1-methyl-N-morpholin-4-ylsulfonylimidazole-4-carboxamide

C15H16F2N4O4S — CID 155116605

IUPAC2-(2,6-difluorophenyl)-1-methyl-N-morpholin-4-ylsulfonylimidazole-4-carboxamide
SMILESCn1cc(C(=O)NS(=O)(=O)N2CCOCC2)nc1-c1c(F)cccc1F
InChIInChI=1S/C15H16F2N4O4S/c1-20-9-12(18-14(20)13-10(16)3-2-4-11(13)17)15(22)19-26(23,24)21-5-7-25-8-6-21/h2-4,9H,5-8H2,1H3,(H,19,22)
InChIKeyOKTFHHJCGXAGHK-UHFFFAOYSA-N
MW386.38 g/mol
LogP0.67
Rot. Bonds4

About 2-(2,6-difluorophenyl)-1-methyl-N-morpholin-4-ylsulfonylimidazole-4-carboxamide

2-(2,6-difluorophenyl)-1-methyl-N-morpholin-4-ylsulfonylimidazole-4-carboxamide (PubChem CID 155116605) has the molecular formula C15H16F2N4O4S and a molecular weight of 386.38 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1-methyl-N-morpholin-4-ylsulfonylimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1-methyl-N-morpholin-4-ylsulfonylimidazole-4-carboxamide
PubChem CID155116605
Molecular FormulaC15H16F2N4O4S
Molecular Weight386.38 g/mol
Exact Mass386.09
IUPAC Name2-(2,6-difluorophenyl)-1-methyl-N-morpholin-4-ylsulfonylimidazole-4-carboxamide
SMILESCn1cc(C(=O)NS(=O)(=O)N2CCOCC2)nc1-c1c(F)cccc1F
InChIInChI=1S/C15H16F2N4O4S/c1-20-9-12(18-14(20)13-10(16)3-2-4-11(13)17)15(22)19-26(23,24)21-5-7-25-8-6-21/h2-4,9H,5-8H2,1H3,(H,19,22)
InChIKeyOKTFHHJCGXAGHK-UHFFFAOYSA-N
XLogP0.67
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-dichlorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
CID 147083151
2-(2,6-difluorophenyl)-N-(4-fluoro-2-methylphenyl)sulfonyl-1-methylimidazole-4-carboxamide
CID 155116617
N-(2-chloro-6-methylsulfanylphenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
CID 155116121
2-amino-N-(1,4-oxazepan-4-ylsulfonyl)-1,3-oxazole-4-carboxamide
CID 156549733
N-(2-fluorophenyl)morpholine-4-sulfonamide
CID 110706019
N-morpholin-4-ylsulfonyl-2-[2-propan-2-yl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide
CID 156549831
N-[2-fluoro-6-(propan-2-ylamino)phenyl]morpholine-4-sulfonamide
CID 136518921
2-[[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]amino]-N-(1,4-oxazepan-4-ylsulfonyl)-1,3-oxazole-4-carboxamide
CID 170442219
1-methyl-N-(6-methyl-2-pyridinyl)-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 17405267
2-[2-methyl-5-(2,2,2-trifluoroethyl)anilino]-N-(1,4-oxazepan-4-ylsulfonyl)-1,3-oxazole-4-carboxamide
CID 156549487
N-(4-fluoro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 2159214
2-fluoro-N-(2-morpholin-4-ylsulfonylphenyl)benzamide
CID 90451563

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1-methyl-N-morpholin-4-ylsulfonylimidazole-4-carboxamide?
The IUPAC name of 2-(2,6-difluorophenyl)-1-methyl-N-morpholin-4-ylsulfonylimidazole-4-carboxamide (CID 155116605) is 2-(2,6-difluorophenyl)-1-methyl-N-morpholin-4-ylsulfonylimidazole-4-carboxamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1-methyl-N-morpholin-4-ylsulfonylimidazole-4-carboxamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-1-methyl-N-morpholin-4-ylsulfonylimidazole-4-carboxamide is Cn1cc(C(=O)NS(=O)(=O)N2CCOCC2)nc1-c1c(F)cccc1F.
What is the InChIKey of 2-(2,6-difluorophenyl)-1-methyl-N-morpholin-4-ylsulfonylimidazole-4-carboxamide?
The InChIKey is OKTFHHJCGXAGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O4S/c1-20-9-12(18-14(20)13-10(16)3-2-4-11(13)17)15(22)19-26(23,24)21-5-7-25-8-6-21/h2-4,9H,5-8H2,1H3,(H,19,22).
What are the key properties of 2-(2,6-difluorophenyl)-1-methyl-N-morpholin-4-ylsulfonylimidazole-4-carboxamide?
2-(2,6-difluorophenyl)-1-methyl-N-morpholin-4-ylsulfonylimidazole-4-carboxamide has a molecular weight of 386.38 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-1-methyl-N-morpholin-4-ylsulfonylimidazole-4-carboxamide is sourced from PubChem (CID 155116605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).