N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide

C19H19F2N3O5S — CID 6900339

IUPACN-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(N/N=C/c1ccc(OC(F)F)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H19F2N3O5S/c20-19(21)29-16-6-4-14(5-7-16)13-22-23-18(25)15-2-1-3-17(12-15)30(26,27)24-8-10-28-11-9-24/h1-7,12-13,19H,8-11H2,(H,23,25)/b22-13+
InChIKeyRYIMZCLYQWHUKG-LPYMAVHISA-N
MW439.44 g/mol
LogP2.07
Rot. Bonds7

About N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide

N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 6900339) has the molecular formula C19H19F2N3O5S and a molecular weight of 439.44 g/mol. Its IUPAC name is N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID6900339
Molecular FormulaC19H19F2N3O5S
Molecular Weight439.44 g/mol
Exact Mass439.10
IUPAC NameN-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(N/N=C/c1ccc(OC(F)F)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H19F2N3O5S/c20-19(21)29-16-6-4-14(5-7-16)13-22-23-18(25)15-2-1-3-17(12-15)30(26,27)24-8-10-28-11-9-24/h1-7,12-13,19H,8-11H2,(H,23,25)/b22-13+
InChIKeyRYIMZCLYQWHUKG-LPYMAVHISA-N
XLogP2.07
TPSA97.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.44
LogP ≤ 52.07
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide (CID 6900339) is N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide is O=C(N/N=C/c1ccc(OC(F)F)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is RYIMZCLYQWHUKG-LPYMAVHISA-N. The full InChI is InChI=1S/C19H19F2N3O5S/c20-19(21)29-16-6-4-14(5-7-16)13-22-23-18(25)15-2-1-3-17(12-15)30(26,27)24-8-10-28-11-9-24/h1-7,12-13,19H,8-11H2,(H,23,25)/b22-13+.
What are the key properties of N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide?
N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 439.44 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 6900339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).