N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]benzenecarboximidate

C19H17N2O4S- — CID 4753740

IUPACN-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]benzenecarboximidate
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2/C([O-])=N/Cc2ccco2)cc1
InChIInChI=1S/C19H18N2O4S/c1-14-8-10-16(11-9-14)26(23,24)21-18-7-3-2-6-17(18)19(22)20-13-15-5-4-12-25-15/h2-12,21H,13H2,1H3,(H,20,22)/p-1
InChIKeyVEVACJVQXGPSQB-UHFFFAOYSA-M
MW369.42 g/mol
LogP2.70
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]benzenecarboximidate

N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]benzenecarboximidate (PubChem CID 4753740) has the molecular formula C19H17N2O4S- and a molecular weight of 369.42 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]benzenecarboximidate.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]benzenecarboximidate
PubChem CID4753740
Molecular FormulaC19H17N2O4S-
Molecular Weight369.42 g/mol
Exact Mass369.09
IUPAC NameN-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]benzenecarboximidate
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2/C([O-])=N/Cc2ccco2)cc1
InChIInChI=1S/C19H18N2O4S/c1-14-8-10-16(11-9-14)26(23,24)21-18-7-3-2-6-17(18)19(22)20-13-15-5-4-12-25-15/h2-12,21H,13H2,1H3,(H,20,22)/p-1
InChIKeyVEVACJVQXGPSQB-UHFFFAOYSA-M
XLogP2.70
TPSA94.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]benzenecarboximidate?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]benzenecarboximidate (CID 4753740) is N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]benzenecarboximidate.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]benzenecarboximidate?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]benzenecarboximidate is Cc1ccc(S(=O)(=O)Nc2ccccc2/C([O-])=N/Cc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]benzenecarboximidate?
The InChIKey is VEVACJVQXGPSQB-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H18N2O4S/c1-14-8-10-16(11-9-14)26(23,24)21-18-7-3-2-6-17(18)19(22)20-13-15-5-4-12-25-15/h2-12,21H,13H2,1H3,(H,20,22)/p-1.
What are the key properties of N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]benzenecarboximidate?
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]benzenecarboximidate has a molecular weight of 369.42 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]benzenecarboximidate is sourced from PubChem (CID 4753740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).