N-[(2,4-difluorophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide

C18H17F2N3O4S — CID 2588987

IUPACN-[(2,4-difluorophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NN=Cc1ccc(F)cc1F)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H17F2N3O4S/c19-15-5-4-14(17(20)11-15)12-21-22-18(24)13-2-1-3-16(10-13)28(25,26)23-6-8-27-9-7-23/h1-5,10-12H,6-9H2,(H,22,24)
InChIKeyQNZQNJRJPRSMGK-UHFFFAOYSA-N
MW409.41 g/mol
LogP1.75
Rot. Bonds5

About N-[(2,4-difluorophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide

N-[(2,4-difluorophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 2588987) has the molecular formula C18H17F2N3O4S and a molecular weight of 409.41 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID2588987
Molecular FormulaC18H17F2N3O4S
Molecular Weight409.41 g/mol
Exact Mass409.09
IUPAC NameN-[(2,4-difluorophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NN=Cc1ccc(F)cc1F)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H17F2N3O4S/c19-15-5-4-14(17(20)11-15)12-21-22-18(24)13-2-1-3-16(10-13)28(25,26)23-6-8-27-9-7-23/h1-5,10-12H,6-9H2,(H,22,24)
InChIKeyQNZQNJRJPRSMGK-UHFFFAOYSA-N
XLogP1.75
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

N-[(2,4-difluorophenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide
CID 2589534
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 135460515
N-[[4-(difluoromethoxy)phenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 2325280
N-(1H-indol-3-ylmethylideneamino)-3-morpholin-4-ylsulfonylbenzamide
CID 2641960
N-[1-(2,4-difluorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 84834881
3-morpholin-4-ylsulfonyl-N-[(3-nitrophenyl)methylideneamino]benzamide
CID 2588912
N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 135684409
N-[(Z)-1-(4-fluorophenyl)propylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 9061106
N-(5-fluoro-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 3653486
N-(3,5-difluorophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 17016205
N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 135675587
N-(cyclopentylideneamino)-3-morpholin-4-ylsulfonylbenzamide
CID 9061071

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[(2,4-difluorophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide (CID 2588987) is N-[(2,4-difluorophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide is O=C(NN=Cc1ccc(F)cc1F)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-[(2,4-difluorophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is QNZQNJRJPRSMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O4S/c19-15-5-4-14(17(20)11-15)12-21-22-18(24)13-2-1-3-16(10-13)28(25,26)23-6-8-27-9-7-23/h1-5,10-12H,6-9H2,(H,22,24).
What are the key properties of N-[(2,4-difluorophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide?
N-[(2,4-difluorophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 409.41 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2588987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).