4-fluoro-2-[(Z)-3-morpholin-4-ylprop-1-enyl]benzenesulfonamide

C13H17FN2O3S — CID 141431668

IUPAC4-fluoro-2-[(Z)-3-morpholin-4-ylprop-1-enyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(F)cc1/C=C\CN1CCOCC1
InChIInChI=1S/C13H17FN2O3S/c14-12-3-4-13(20(15,17)18)11(10-12)2-1-5-16-6-8-19-9-7-16/h1-4,10H,5-9H2,(H2,15,17,18)/b2-1-
InChIKeyQNPGFMAGKKVKRR-UPHRSURJSA-N
MW300.35 g/mol
LogP0.82
Rot. Bonds4

About 4-fluoro-2-[(Z)-3-morpholin-4-ylprop-1-enyl]benzenesulfonamide

4-fluoro-2-[(Z)-3-morpholin-4-ylprop-1-enyl]benzenesulfonamide (PubChem CID 141431668) has the molecular formula C13H17FN2O3S and a molecular weight of 300.35 g/mol. Its IUPAC name is 4-fluoro-2-[(Z)-3-morpholin-4-ylprop-1-enyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-[(Z)-3-morpholin-4-ylprop-1-enyl]benzenesulfonamide
PubChem CID141431668
Molecular FormulaC13H17FN2O3S
Molecular Weight300.35 g/mol
Exact Mass300.09
IUPAC Name4-fluoro-2-[(Z)-3-morpholin-4-ylprop-1-enyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(F)cc1/C=C\CN1CCOCC1
InChIInChI=1S/C13H17FN2O3S/c14-12-3-4-13(20(15,17)18)11(10-12)2-1-5-16-6-8-19-9-7-16/h1-4,10H,5-9H2,(H2,15,17,18)/b2-1-
InChIKeyQNPGFMAGKKVKRR-UPHRSURJSA-N
XLogP0.82
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide
CID 82915954
4-[(E)-4-morpholin-4-ylbut-2-enyl]sulfonylbenzenesulfonamide
CID 139245096
2-bromo-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 60822981
4-[(E)-3-morpholin-4-ylprop-1-enyl]aniline
CID 121451952
2-[[4-fluoro-2-[(Z)-3-pyrrolidin-1-ylprop-1-enyl]phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 11583415
(E)-3-[5-fluoro-2-(morpholin-4-ylmethyl)phenyl]prop-2-enoic acid
CID 109375365
(E)-3-(4-fluoro-2-morpholin-4-ylphenyl)prop-2-en-1-amine
CID 115111111
(5-fluoro-2-morpholin-4-ylsulfonylphenyl)methanamine;hydrochloride
CID 66878651
N-benzyl-2,3,5,6-tetrafluoro-4-(3-morpholin-4-ylprop-1-enyl)aniline
CID 2961470
2-amino-5-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 60986198
1-(2,5-difluorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 19683012
(E)-3-(2,4-difluorophenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 90264836

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(Z)-3-morpholin-4-ylprop-1-enyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-2-[(Z)-3-morpholin-4-ylprop-1-enyl]benzenesulfonamide (CID 141431668) is 4-fluoro-2-[(Z)-3-morpholin-4-ylprop-1-enyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-[(Z)-3-morpholin-4-ylprop-1-enyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-[(Z)-3-morpholin-4-ylprop-1-enyl]benzenesulfonamide is NS(=O)(=O)c1ccc(F)cc1/C=C\CN1CCOCC1.
What is the InChIKey of 4-fluoro-2-[(Z)-3-morpholin-4-ylprop-1-enyl]benzenesulfonamide?
The InChIKey is QNPGFMAGKKVKRR-UPHRSURJSA-N. The full InChI is InChI=1S/C13H17FN2O3S/c14-12-3-4-13(20(15,17)18)11(10-12)2-1-5-16-6-8-19-9-7-16/h1-4,10H,5-9H2,(H2,15,17,18)/b2-1-.
What are the key properties of 4-fluoro-2-[(Z)-3-morpholin-4-ylprop-1-enyl]benzenesulfonamide?
4-fluoro-2-[(Z)-3-morpholin-4-ylprop-1-enyl]benzenesulfonamide has a molecular weight of 300.35 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(Z)-3-morpholin-4-ylprop-1-enyl]benzenesulfonamide is sourced from PubChem (CID 141431668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).