N-[(Z)-1-(4-fluorophenyl)propylideneamino]-3-morpholin-4-ylsulfonylbenzamide

C20H22FN3O4S — CID 9061106

IUPACN-[(Z)-1-(4-fluorophenyl)propylideneamino]-3-morpholin-4-ylsulfonylbenzamide
SMILESCC/C(=N/NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(F)cc1
InChIInChI=1S/C20H22FN3O4S/c1-2-19(15-6-8-17(21)9-7-15)22-23-20(25)16-4-3-5-18(14-16)29(26,27)24-10-12-28-13-11-24/h3-9,14H,2,10-13H2,1H3,(H,23,25)/b22-19-
InChIKeyHGNFHSLYNRHAQN-QOCHGBHMSA-N
MW419.48 g/mol
LogP2.39
Rot. Bonds6

About N-[(Z)-1-(4-fluorophenyl)propylideneamino]-3-morpholin-4-ylsulfonylbenzamide

N-[(Z)-1-(4-fluorophenyl)propylideneamino]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 9061106) has the molecular formula C20H22FN3O4S and a molecular weight of 419.48 g/mol. Its IUPAC name is N-[(Z)-1-(4-fluorophenyl)propylideneamino]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-fluorophenyl)propylideneamino]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID9061106
Molecular FormulaC20H22FN3O4S
Molecular Weight419.48 g/mol
Exact Mass419.13
IUPAC NameN-[(Z)-1-(4-fluorophenyl)propylideneamino]-3-morpholin-4-ylsulfonylbenzamide
SMILESCC/C(=N/NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(F)cc1
InChIInChI=1S/C20H22FN3O4S/c1-2-19(15-6-8-17(21)9-7-15)22-23-20(25)16-4-3-5-18(14-16)29(26,27)24-10-12-28-13-11-24/h3-9,14H,2,10-13H2,1H3,(H,23,25)/b22-19-
InChIKeyHGNFHSLYNRHAQN-QOCHGBHMSA-N
XLogP2.39
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 52.39
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

3-morpholin-4-ylsulfonyl-N-(1-phenylpropylideneamino)benzamide
CID 4611586
N-[1-(4-fluorophenyl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 3295556
N-(5-fluoro-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 3653486
N-[(2,4-difluorophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 2588987
N-(3,5-difluorophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 17016205
N-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide
CID 42906024
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 135755195
N-(cyclopentylideneamino)-3-morpholin-4-ylsulfonylbenzamide
CID 9061071
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 46566179
N-[1-(2,4-difluorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 84834881
N-ethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzamide
CID 51156302
2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 24691198

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-fluorophenyl)propylideneamino]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[(Z)-1-(4-fluorophenyl)propylideneamino]-3-morpholin-4-ylsulfonylbenzamide (CID 9061106) is N-[(Z)-1-(4-fluorophenyl)propylideneamino]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[(Z)-1-(4-fluorophenyl)propylideneamino]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[(Z)-1-(4-fluorophenyl)propylideneamino]-3-morpholin-4-ylsulfonylbenzamide is CC/C(=N/NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(F)cc1.
What is the InChIKey of N-[(Z)-1-(4-fluorophenyl)propylideneamino]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is HGNFHSLYNRHAQN-QOCHGBHMSA-N. The full InChI is InChI=1S/C20H22FN3O4S/c1-2-19(15-6-8-17(21)9-7-15)22-23-20(25)16-4-3-5-18(14-16)29(26,27)24-10-12-28-13-11-24/h3-9,14H,2,10-13H2,1H3,(H,23,25)/b22-19-.
What are the key properties of N-[(Z)-1-(4-fluorophenyl)propylideneamino]-3-morpholin-4-ylsulfonylbenzamide?
N-[(Z)-1-(4-fluorophenyl)propylideneamino]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 419.48 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-fluorophenyl)propylideneamino]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 9061106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).