1-(3,3-difluorobutyl)-N-(4-methylphenyl)sulfonylimidazole-4-carboxamide;ethane

C17H23F2N3O3S — CID 142342430

IUPAC1-(3,3-difluorobutyl)-N-(4-methylphenyl)sulfonylimidazole-4-carboxamide;ethane
SMILESCC.Cc1ccc(S(=O)(=O)NC(=O)c2cn(CCC(C)(F)F)cn2)cc1
InChIInChI=1S/C15H17F2N3O3S.C2H6/c1-11-3-5-12(6-4-11)24(22,23)19-14(21)13-9-20(10-18-13)8-7-15(2,16)17;1-2/h3-6,9-10H,7-8H2,1-2H3,(H,19,21);1-2H3
InChIKeyMIIFGLRRJPAMSR-UHFFFAOYSA-N
MW387.45 g/mol
LogP3.38
Rot. Bonds6

About 1-(3,3-difluorobutyl)-N-(4-methylphenyl)sulfonylimidazole-4-carboxamide;ethane

1-(3,3-difluorobutyl)-N-(4-methylphenyl)sulfonylimidazole-4-carboxamide;ethane (PubChem CID 142342430) has the molecular formula C17H23F2N3O3S and a molecular weight of 387.45 g/mol. Its IUPAC name is 1-(3,3-difluorobutyl)-N-(4-methylphenyl)sulfonylimidazole-4-carboxamide;ethane.

Molecular Properties

Compound Name1-(3,3-difluorobutyl)-N-(4-methylphenyl)sulfonylimidazole-4-carboxamide;ethane
PubChem CID142342430
Molecular FormulaC17H23F2N3O3S
Molecular Weight387.45 g/mol
Exact Mass387.14
IUPAC Name1-(3,3-difluorobutyl)-N-(4-methylphenyl)sulfonylimidazole-4-carboxamide;ethane
SMILESCC.Cc1ccc(S(=O)(=O)NC(=O)c2cn(CCC(C)(F)F)cn2)cc1
InChIInChI=1S/C15H17F2N3O3S.C2H6/c1-11-3-5-12(6-4-11)24(22,23)19-14(21)13-9-20(10-18-13)8-7-15(2,16)17;1-2/h3-6,9-10H,7-8H2,1-2H3,(H,19,21);1-2H3
InChIKeyMIIFGLRRJPAMSR-UHFFFAOYSA-N
XLogP3.38
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(4-methylphenyl)sulfonylamino]ethyl]imidazole-4-carboxylic acid
CID 107498018
triethyl-[(4-methylphenyl)sulfonylcarbamoyl]phosphanium
CID 134977826
N-(benzenesulfonyl)-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 139453020
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide
CID 22485067
1-[2-[(4-bromophenyl)sulfonylamino]ethyl]imidazole-4-carboxylic acid
CID 107497958
N-(2-chlorophenyl)sulfonyl-1-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide
CID 139452892
N-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylacetamide
CID 10364984
4-methyl-N-oxidobenzenesulfonamide
CID 141387140
lithium;hydride;N-(4-methylphenyl)sulfonylbenzamide
CID 173095463
2-(125I)iodo-6-methyl-N-(4-methylphenyl)sulfonyl(125I)benzamide
CID 146170024
(4-methylphenyl)sulfonylurea;urea
CID 160676948
N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135051885

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorobutyl)-N-(4-methylphenyl)sulfonylimidazole-4-carboxamide;ethane?
The IUPAC name of 1-(3,3-difluorobutyl)-N-(4-methylphenyl)sulfonylimidazole-4-carboxamide;ethane (CID 142342430) is 1-(3,3-difluorobutyl)-N-(4-methylphenyl)sulfonylimidazole-4-carboxamide;ethane.
What is the SMILES notation for 1-(3,3-difluorobutyl)-N-(4-methylphenyl)sulfonylimidazole-4-carboxamide;ethane?
The canonical SMILES for 1-(3,3-difluorobutyl)-N-(4-methylphenyl)sulfonylimidazole-4-carboxamide;ethane is CC.Cc1ccc(S(=O)(=O)NC(=O)c2cn(CCC(C)(F)F)cn2)cc1.
What is the InChIKey of 1-(3,3-difluorobutyl)-N-(4-methylphenyl)sulfonylimidazole-4-carboxamide;ethane?
The InChIKey is MIIFGLRRJPAMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O3S.C2H6/c1-11-3-5-12(6-4-11)24(22,23)19-14(21)13-9-20(10-18-13)8-7-15(2,16)17;1-2/h3-6,9-10H,7-8H2,1-2H3,(H,19,21);1-2H3.
What are the key properties of 1-(3,3-difluorobutyl)-N-(4-methylphenyl)sulfonylimidazole-4-carboxamide;ethane?
1-(3,3-difluorobutyl)-N-(4-methylphenyl)sulfonylimidazole-4-carboxamide;ethane has a molecular weight of 387.45 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorobutyl)-N-(4-methylphenyl)sulfonylimidazole-4-carboxamide;ethane is sourced from PubChem (CID 142342430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).