cyclohexyl N-(benzenesulfonyl)benzenecarboximidate

C19H21NO3S — CID 680256

IUPACcyclohexyl N-(benzenesulfonyl)benzenecarboximidate
SMILESO=S(=O)(N=C(OC1CCCCC1)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO3S/c21-24(22,18-14-8-3-9-15-18)20-19(16-10-4-1-5-11-16)23-17-12-6-2-7-13-17/h1,3-5,8-11,14-15,17H,2,6-7,12-13H2
InChIKeyLHDDSANRPMJSBC-UHFFFAOYSA-N
MW343.45 g/mol
LogP4.17
Rot. Bonds4

About cyclohexyl N-(benzenesulfonyl)benzenecarboximidate

cyclohexyl N-(benzenesulfonyl)benzenecarboximidate (PubChem CID 680256) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is cyclohexyl N-(benzenesulfonyl)benzenecarboximidate.

Molecular Properties

Compound Namecyclohexyl N-(benzenesulfonyl)benzenecarboximidate
PubChem CID680256
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Namecyclohexyl N-(benzenesulfonyl)benzenecarboximidate
SMILESO=S(=O)(N=C(OC1CCCCC1)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO3S/c21-24(22,18-14-8-3-9-15-18)20-19(16-10-4-1-5-11-16)23-17-12-6-2-7-13-17/h1,3-5,8-11,14-15,17H,2,6-7,12-13H2
InChIKeyLHDDSANRPMJSBC-UHFFFAOYSA-N
XLogP4.17
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 cyclohexyl N-(benzenesulfonyl)benzenecarboximidate?
The IUPAC name of cyclohexyl N-(benzenesulfonyl)benzenecarboximidate (CID 680256) is cyclohexyl N-(benzenesulfonyl)benzenecarboximidate.
What is the SMILES notation for cyclohexyl N-(benzenesulfonyl)benzenecarboximidate?
The canonical SMILES for cyclohexyl N-(benzenesulfonyl)benzenecarboximidate is O=S(=O)(N=C(OC1CCCCC1)c1ccccc1)c1ccccc1.
What is the InChIKey of cyclohexyl N-(benzenesulfonyl)benzenecarboximidate?
The InChIKey is LHDDSANRPMJSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c21-24(22,18-14-8-3-9-15-18)20-19(16-10-4-1-5-11-16)23-17-12-6-2-7-13-17/h1,3-5,8-11,14-15,17H,2,6-7,12-13H2.
What are the key properties of cyclohexyl N-(benzenesulfonyl)benzenecarboximidate?
cyclohexyl N-(benzenesulfonyl)benzenecarboximidate has a molecular weight of 343.45 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl N-(benzenesulfonyl)benzenecarboximidate is sourced from PubChem (CID 680256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).