4-fluoro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide

C19H24FN2O3S+ — CID 8844443

IUPAC4-fluoro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide
SMILESCc1ccc([C@H](C[NH+]2CCOCC2)NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H23FN2O3S/c1-15-2-4-16(5-3-15)19(14-22-10-12-25-13-11-22)21-26(23,24)18-8-6-17(20)7-9-18/h2-9,19,21H,10-14H2,1H3/p+1/t19-/m0/s1
InChIKeyNHFWFCYCZWZOJI-IBGZPJMESA-O
MW379.48 g/mol
LogP1.07
Rot. Bonds6

About 4-fluoro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide

4-fluoro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide (PubChem CID 8844443) has the molecular formula C19H24FN2O3S+ and a molecular weight of 379.48 g/mol. Its IUPAC name is 4-fluoro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide
PubChem CID8844443
Molecular FormulaC19H24FN2O3S+
Molecular Weight379.48 g/mol
Exact Mass379.15
IUPAC Name4-fluoro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide
SMILESCc1ccc([C@H](C[NH+]2CCOCC2)NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H23FN2O3S/c1-15-2-4-16(5-3-15)19(14-22-10-12-25-13-11-22)21-26(23,24)18-8-6-17(20)7-9-18/h2-9,19,21H,10-14H2,1H3/p+1/t19-/m0/s1
InChIKeyNHFWFCYCZWZOJI-IBGZPJMESA-O
XLogP1.07
TPSA59.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide
CID 8844547
N-[4-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]sulfamoyl]phenyl]acetamide
CID 8844418
N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 8844550
N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzenesulfonamide
CID 8844896
4-tert-butyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzenesulfonamide
CID 8845032
3,4-dimethyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzenesulfonamide
CID 8844996
(E)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-2-phenylethenesulfonamide
CID 8844490
2-methoxy-5-methyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzenesulfonamide
CID 8845179
N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 8845219
7-(4-fluorophenyl)-7-[(4-methylphenyl)sulfonylamino]heptanoic acid
CID 139616882
2-(2-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide
CID 9144554
N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]thiophene-2-sulfonamide
CID 8844908

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide (CID 8844443) is 4-fluoro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide is Cc1ccc([C@H](C[NH+]2CCOCC2)NS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-fluoro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide?
The InChIKey is NHFWFCYCZWZOJI-IBGZPJMESA-O. The full InChI is InChI=1S/C19H23FN2O3S/c1-15-2-4-16(5-3-15)19(14-22-10-12-25-13-11-22)21-26(23,24)18-8-6-17(20)7-9-18/h2-9,19,21H,10-14H2,1H3/p+1/t19-/m0/s1.
What are the key properties of 4-fluoro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide?
4-fluoro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide has a molecular weight of 379.48 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide is sourced from PubChem (CID 8844443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).