methyl 2-[(1S,2Z)-2-[(4-sulfamoylphenyl)hydrazinylidene]cyclohexyl]acetate

C15H21N3O4S — CID 7689704

IUPACmethyl 2-[(1S,2Z)-2-[(4-sulfamoylphenyl)hydrazinylidene]cyclohexyl]acetate
SMILESCOC(=O)C[C@@H]1CCCC/C1=N/Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H21N3O4S/c1-22-15(19)10-11-4-2-3-5-14(11)18-17-12-6-8-13(9-7-12)23(16,20)21/h6-9,11,17H,2-5,10H2,1H3,(H2,16,20,21)/b18-14-/t11-/m0/s1
InChIKeyKVQIBOZWPOTKOO-WMEZLHQCSA-N
MW339.42 g/mol
LogP1.86
Rot. Bonds5

About methyl 2-[(1S,2Z)-2-[(4-sulfamoylphenyl)hydrazinylidene]cyclohexyl]acetate

methyl 2-[(1S,2Z)-2-[(4-sulfamoylphenyl)hydrazinylidene]cyclohexyl]acetate (PubChem CID 7689704) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is methyl 2-[(1S,2Z)-2-[(4-sulfamoylphenyl)hydrazinylidene]cyclohexyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(1S,2Z)-2-[(4-sulfamoylphenyl)hydrazinylidene]cyclohexyl]acetate
PubChem CID7689704
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Namemethyl 2-[(1S,2Z)-2-[(4-sulfamoylphenyl)hydrazinylidene]cyclohexyl]acetate
SMILESCOC(=O)C[C@@H]1CCCC/C1=N/Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H21N3O4S/c1-22-15(19)10-11-4-2-3-5-14(11)18-17-12-6-8-13(9-7-12)23(16,20)21/h6-9,11,17H,2-5,10H2,1H3,(H2,16,20,21)/b18-14-/t11-/m0/s1
InChIKeyKVQIBOZWPOTKOO-WMEZLHQCSA-N
XLogP1.86
TPSA110.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2-cyclopentylidenehydrazinyl)benzenesulfonamide
CID 139083383
4-[2-(4-tert-butylcyclohexylidene)hydrazinyl]benzenesulfonamide
CID 3657005
N-[(4-sulfamoylphenyl)methyl]cycloheptanecarboxamide
CID 10470657
methyl 4-oxo-4-(4-sulfamoylanilino)butanoate
CID 721949
ethyl (3R)-1-[(4-sulfamoylphenyl)carbamothioyl]piperidine-3-carboxylate
CID 1289838
3-cyclohexylsulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 25044457
1-cyclohexyl-1-methyl-3-(4-sulfamoylphenyl)urea
CID 27869234
methyl 2-[1-(4-sulfamoylphenyl)ethylamino]acetate
CID 43228683
N-(cyclobutylmethyl)-4-sulfamoylbenzamide
CID 43298916
methyl 2-[4-(cyclopropanecarbonyl)phenyl]sulfonylacetate
CID 82165154
N-cyclopentyl-2,2-dimethyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanediamide
CID 108958583
N-[3-(4-sulfamoylphenyl)propyl]cyclobutanecarboxamide
CID 60905854

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1S,2Z)-2-[(4-sulfamoylphenyl)hydrazinylidene]cyclohexyl]acetate?
The IUPAC name of methyl 2-[(1S,2Z)-2-[(4-sulfamoylphenyl)hydrazinylidene]cyclohexyl]acetate (CID 7689704) is methyl 2-[(1S,2Z)-2-[(4-sulfamoylphenyl)hydrazinylidene]cyclohexyl]acetate.
What is the SMILES notation for methyl 2-[(1S,2Z)-2-[(4-sulfamoylphenyl)hydrazinylidene]cyclohexyl]acetate?
The canonical SMILES for methyl 2-[(1S,2Z)-2-[(4-sulfamoylphenyl)hydrazinylidene]cyclohexyl]acetate is COC(=O)C[C@@H]1CCCC/C1=N/Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of methyl 2-[(1S,2Z)-2-[(4-sulfamoylphenyl)hydrazinylidene]cyclohexyl]acetate?
The InChIKey is KVQIBOZWPOTKOO-WMEZLHQCSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-22-15(19)10-11-4-2-3-5-14(11)18-17-12-6-8-13(9-7-12)23(16,20)21/h6-9,11,17H,2-5,10H2,1H3,(H2,16,20,21)/b18-14-/t11-/m0/s1.
What are the key properties of methyl 2-[(1S,2Z)-2-[(4-sulfamoylphenyl)hydrazinylidene]cyclohexyl]acetate?
methyl 2-[(1S,2Z)-2-[(4-sulfamoylphenyl)hydrazinylidene]cyclohexyl]acetate has a molecular weight of 339.42 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1S,2Z)-2-[(4-sulfamoylphenyl)hydrazinylidene]cyclohexyl]acetate is sourced from PubChem (CID 7689704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).