N'-(4-methoxyphenyl)sulfonyl-1-(6-methyl-2-pyridinyl)imidazole-4-carbohydrazide

C17H17N5O4S — CID 1485014

IUPACN'-(4-methoxyphenyl)sulfonyl-1-(6-methyl-2-pyridinyl)imidazole-4-carbohydrazide
SMILESCOc1ccc(S(=O)(=O)NNC(=O)c2cn(-c3cccc(C)n3)cn2)cc1
InChIInChI=1S/C17H17N5O4S/c1-12-4-3-5-16(19-12)22-10-15(18-11-22)17(23)20-21-27(24,25)14-8-6-13(26-2)7-9-14/h3-11,21H,1-2H3,(H,20,23)
InChIKeyRLLCIKZRVKRYBK-UHFFFAOYSA-N
MW387.42 g/mol
LogP1.21
Rot. Bonds6

About N'-(4-methoxyphenyl)sulfonyl-1-(6-methyl-2-pyridinyl)imidazole-4-carbohydrazide

N'-(4-methoxyphenyl)sulfonyl-1-(6-methyl-2-pyridinyl)imidazole-4-carbohydrazide (PubChem CID 1485014) has the molecular formula C17H17N5O4S and a molecular weight of 387.42 g/mol. Its IUPAC name is N'-(4-methoxyphenyl)sulfonyl-1-(6-methyl-2-pyridinyl)imidazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-methoxyphenyl)sulfonyl-1-(6-methyl-2-pyridinyl)imidazole-4-carbohydrazide
PubChem CID1485014
Molecular FormulaC17H17N5O4S
Molecular Weight387.42 g/mol
Exact Mass387.10
IUPAC NameN'-(4-methoxyphenyl)sulfonyl-1-(6-methyl-2-pyridinyl)imidazole-4-carbohydrazide
SMILESCOc1ccc(S(=O)(=O)NNC(=O)c2cn(-c3cccc(C)n3)cn2)cc1
InChIInChI=1S/C17H17N5O4S/c1-12-4-3-5-16(19-12)22-10-15(18-11-22)17(23)20-21-27(24,25)14-8-6-13(26-2)7-9-14/h3-11,21H,1-2H3,(H,20,23)
InChIKeyRLLCIKZRVKRYBK-UHFFFAOYSA-N
XLogP1.21
TPSA115.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-methoxy-N'-[(2-methylimidazo[1,2-a]pyridin-3-yl)carbonyl]benzenesulfonohydrazide
CID 983426
2,5-diethoxy-N'-[(2-methylimidazo[1,2-a]pyridin-3-yl)carbonyl]benzenesulfonohydrazide
CID 983430
Sdccgsbi-0662961.P001
CID 134791404
3-(4-fluorophenyl)-N'-(4-methoxyphenyl)sulfonylimidazole-4-carbohydrazide
CID 17419714
N-[3-[4-(1-methylpyrrole-2-carbonyl)piperazin-1-yl]pyrazin-2-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 132457987
N-[5-[2-(difluoromethyl)-6-oxo-1-propyl-7H-purin-8-yl]pyridin-2-yl]-3-methoxybenzenesulfonamide
CID 67134907
N-[5-[2-(difluoromethyl)-6-oxo-7-propyl-1H-purin-8-yl]-2-pyridinyl]-3-methoxybenzenesulfonamide
CID 136489384
1-(3,5-difluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide
CID 139453176
1-(2,6-difluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonylimidazole-4-carboxamide
CID 139453260
1-(3,5-difluorophenyl)-N-(4-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide
CID 139453333
2-(2,6-difluorophenyl)-N-[(6-methoxy-3-pyridinyl)sulfonyl]-1-methylimidazole-4-carboxamide
CID 155116298
2-(3-fluoro-2-pyridinyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide
CID 155116310

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxyphenyl)sulfonyl-1-(6-methyl-2-pyridinyl)imidazole-4-carbohydrazide?
The IUPAC name of N'-(4-methoxyphenyl)sulfonyl-1-(6-methyl-2-pyridinyl)imidazole-4-carbohydrazide (CID 1485014) is N'-(4-methoxyphenyl)sulfonyl-1-(6-methyl-2-pyridinyl)imidazole-4-carbohydrazide.
What is the SMILES notation for N'-(4-methoxyphenyl)sulfonyl-1-(6-methyl-2-pyridinyl)imidazole-4-carbohydrazide?
The canonical SMILES for N'-(4-methoxyphenyl)sulfonyl-1-(6-methyl-2-pyridinyl)imidazole-4-carbohydrazide is COc1ccc(S(=O)(=O)NNC(=O)c2cn(-c3cccc(C)n3)cn2)cc1.
What is the InChIKey of N'-(4-methoxyphenyl)sulfonyl-1-(6-methyl-2-pyridinyl)imidazole-4-carbohydrazide?
The InChIKey is RLLCIKZRVKRYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O4S/c1-12-4-3-5-16(19-12)22-10-15(18-11-22)17(23)20-21-27(24,25)14-8-6-13(26-2)7-9-14/h3-11,21H,1-2H3,(H,20,23).
What are the key properties of N'-(4-methoxyphenyl)sulfonyl-1-(6-methyl-2-pyridinyl)imidazole-4-carbohydrazide?
N'-(4-methoxyphenyl)sulfonyl-1-(6-methyl-2-pyridinyl)imidazole-4-carbohydrazide has a molecular weight of 387.42 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxyphenyl)sulfonyl-1-(6-methyl-2-pyridinyl)imidazole-4-carbohydrazide is sourced from PubChem (CID 1485014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).