N-(1,2-dimorpholin-4-ylethylidene)-4-methylbenzenesulfonamide

C17H25N3O4S — CID 567925

IUPACN-(1,2-dimorpholin-4-ylethylidene)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=C(CN2CCOCC2)N2CCOCC2)cc1
InChIInChI=1S/C17H25N3O4S/c1-15-2-4-16(5-3-15)25(21,22)18-17(20-8-12-24-13-9-20)14-19-6-10-23-11-7-19/h2-5H,6-14H2,1H3
InChIKeyDONHLJANRMXZTO-UHFFFAOYSA-N
MW367.47 g/mol
LogP0.75
Rot. Bonds4

About N-(1,2-dimorpholin-4-ylethylidene)-4-methylbenzenesulfonamide

N-(1,2-dimorpholin-4-ylethylidene)-4-methylbenzenesulfonamide (PubChem CID 567925) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-(1,2-dimorpholin-4-ylethylidene)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1,2-dimorpholin-4-ylethylidene)-4-methylbenzenesulfonamide
PubChem CID567925
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC NameN-(1,2-dimorpholin-4-ylethylidene)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=C(CN2CCOCC2)N2CCOCC2)cc1
InChIInChI=1S/C17H25N3O4S/c1-15-2-4-16(5-3-15)25(21,22)18-17(20-8-12-24-13-9-20)14-19-6-10-23-11-7-19/h2-5H,6-14H2,1H3
InChIKeyDONHLJANRMXZTO-UHFFFAOYSA-N
XLogP0.75
TPSA71.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 50.75
H-Bond Donors ≤ 50
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-(1,2-dimorpholin-4-ylethylidene)-4-methylbenzenesulfonamide?
The IUPAC name of N-(1,2-dimorpholin-4-ylethylidene)-4-methylbenzenesulfonamide (CID 567925) is N-(1,2-dimorpholin-4-ylethylidene)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(1,2-dimorpholin-4-ylethylidene)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(1,2-dimorpholin-4-ylethylidene)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N=C(CN2CCOCC2)N2CCOCC2)cc1.
What is the InChIKey of N-(1,2-dimorpholin-4-ylethylidene)-4-methylbenzenesulfonamide?
The InChIKey is DONHLJANRMXZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-15-2-4-16(5-3-15)25(21,22)18-17(20-8-12-24-13-9-20)14-19-6-10-23-11-7-19/h2-5H,6-14H2,1H3.
What are the key properties of N-(1,2-dimorpholin-4-ylethylidene)-4-methylbenzenesulfonamide?
N-(1,2-dimorpholin-4-ylethylidene)-4-methylbenzenesulfonamide has a molecular weight of 367.47 g/mol, XLogP of 0.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dimorpholin-4-ylethylidene)-4-methylbenzenesulfonamide is sourced from PubChem (CID 567925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).