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

C19H19F2N3O5S — CID 2325280

IUPACN-[[4-(difluoromethoxy)phenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NN=Cc1ccc(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)
InChIKeyRYIMZCLYQWHUKG-UHFFFAOYSA-N
MW439.44 g/mol
LogP2.07
Rot. Bonds7

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

N-[[4-(difluoromethoxy)phenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 2325280) has the molecular formula C19H19F2N3O5S and a molecular weight of 439.44 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID2325280
Molecular FormulaC19H19F2N3O5S
Molecular Weight439.44 g/mol
Exact Mass439.10
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NN=Cc1ccc(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)
InChIKeyRYIMZCLYQWHUKG-UHFFFAOYSA-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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Related Compounds

N-[(2,4-difluorophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 2588987
3-morpholin-4-ylsulfonyl-N-[(3-nitrophenyl)methylideneamino]benzamide
CID 2588912
N-[(E)-(4-bromophenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 6907579
N-(benzylideneamino)-3-piperidin-1-ylsulfonylbenzamide
CID 2589458
N-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-morpholin-4-ylsulfonylbenzamide
CID 41320212
N-[[3-[4-(difluoromethoxy)phenyl]-1-phenylpyrazol-4-yl]methylideneamino]-3-piperidin-1-ylsulfonylbenzamide
CID 2356901
N-(1H-indol-3-ylmethylideneamino)-3-morpholin-4-ylsulfonylbenzamide
CID 2641960
3-(difluoromethoxy)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 35979257
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 135460515
N-[(4-methylsulfanylphenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide
CID 5099990
N-[(3,4-dimethoxyphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2589241
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 8972352

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide (CID 2325280) is N-[[4-(difluoromethoxy)phenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide is O=C(NN=Cc1ccc(OC(F)F)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is RYIMZCLYQWHUKG-UHFFFAOYSA-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).
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide?
N-[[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-[[4-(difluoromethoxy)phenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2325280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).