(4-methoxyphenyl) N-(benzenesulfonyl)benzenecarboximidate

C20H17NO4S — CID 1351862

IUPAC(4-methoxyphenyl) N-(benzenesulfonyl)benzenecarboximidate
SMILESCOc1ccc(OC(=NS(=O)(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H17NO4S/c1-24-17-12-14-18(15-13-17)25-20(16-8-4-2-5-9-16)21-26(22,23)19-10-6-3-7-11-19/h2-15H,1H3
InChIKeySGCJSLDHDNJMOJ-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.91
Rot. Bonds5

About (4-methoxyphenyl) N-(benzenesulfonyl)benzenecarboximidate

(4-methoxyphenyl) N-(benzenesulfonyl)benzenecarboximidate (PubChem CID 1351862) has the molecular formula C20H17NO4S and a molecular weight of 367.43 g/mol. Its IUPAC name is (4-methoxyphenyl) N-(benzenesulfonyl)benzenecarboximidate.

Molecular Properties

Compound Name(4-methoxyphenyl) N-(benzenesulfonyl)benzenecarboximidate
PubChem CID1351862
Molecular FormulaC20H17NO4S
Molecular Weight367.43 g/mol
Exact Mass367.09
IUPAC Name(4-methoxyphenyl) N-(benzenesulfonyl)benzenecarboximidate
SMILESCOc1ccc(OC(=NS(=O)(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H17NO4S/c1-24-17-12-14-18(15-13-17)25-20(16-8-4-2-5-9-16)21-26(22,23)19-10-6-3-7-11-19/h2-15H,1H3
InChIKeySGCJSLDHDNJMOJ-UHFFFAOYSA-N
XLogP3.91
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (4-methoxyphenyl) N-(benzenesulfonyl)benzenecarboximidate?
The IUPAC name of (4-methoxyphenyl) N-(benzenesulfonyl)benzenecarboximidate (CID 1351862) is (4-methoxyphenyl) N-(benzenesulfonyl)benzenecarboximidate.
What is the SMILES notation for (4-methoxyphenyl) N-(benzenesulfonyl)benzenecarboximidate?
The canonical SMILES for (4-methoxyphenyl) N-(benzenesulfonyl)benzenecarboximidate is COc1ccc(OC(=NS(=O)(=O)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (4-methoxyphenyl) N-(benzenesulfonyl)benzenecarboximidate?
The InChIKey is SGCJSLDHDNJMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4S/c1-24-17-12-14-18(15-13-17)25-20(16-8-4-2-5-9-16)21-26(22,23)19-10-6-3-7-11-19/h2-15H,1H3.
What are the key properties of (4-methoxyphenyl) N-(benzenesulfonyl)benzenecarboximidate?
(4-methoxyphenyl) N-(benzenesulfonyl)benzenecarboximidate has a molecular weight of 367.43 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) N-(benzenesulfonyl)benzenecarboximidate is sourced from PubChem (CID 1351862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).