N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzenesulfonamide

C18H23N2O3S+ — CID 8844896

IUPACN-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzenesulfonamide
SMILESO=S(=O)(N[C@H](C[NH+]1CCOCC1)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22N2O3S/c21-24(22,17-9-5-2-6-10-17)19-18(16-7-3-1-4-8-16)15-20-11-13-23-14-12-20/h1-10,18-19H,11-15H2/p+1/t18-/m1/s1
InChIKeyGIZSCLWKDSATET-GOSISDBHSA-O
MW347.46 g/mol
LogP0.62
Rot. Bonds6

About N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzenesulfonamide

N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzenesulfonamide (PubChem CID 8844896) has the molecular formula C18H23N2O3S+ and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzenesulfonamide
PubChem CID8844896
Molecular FormulaC18H23N2O3S+
Molecular Weight347.46 g/mol
Exact Mass347.14
IUPAC NameN-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzenesulfonamide
SMILESO=S(=O)(N[C@H](C[NH+]1CCOCC1)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22N2O3S/c21-24(22,17-9-5-2-6-10-17)19-18(16-7-3-1-4-8-16)15-20-11-13-23-14-12-20/h1-10,18-19H,11-15H2/p+1/t18-/m1/s1
InChIKeyGIZSCLWKDSATET-GOSISDBHSA-O
XLogP0.62
TPSA59.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]thiophene-2-sulfonamide
CID 8844908
N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 8845219
4-fluoro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide
CID 8844443
(E)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-2-phenylethenesulfonamide
CID 8845008
4-cyano-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide
CID 8844547
2-methoxy-5-methyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzenesulfonamide
CID 8845179
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
(E)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-2-phenylethenesulfonamide
CID 8844490
4-chloro-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide
CID 9148310

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzenesulfonamide?
The IUPAC name of N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzenesulfonamide (CID 8844896) is N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzenesulfonamide.
What is the SMILES notation for N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzenesulfonamide?
The canonical SMILES for N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzenesulfonamide is O=S(=O)(N[C@H](C[NH+]1CCOCC1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzenesulfonamide?
The InChIKey is GIZSCLWKDSATET-GOSISDBHSA-O. The full InChI is InChI=1S/C18H22N2O3S/c21-24(22,17-9-5-2-6-10-17)19-18(16-7-3-1-4-8-16)15-20-11-13-23-14-12-20/h1-10,18-19H,11-15H2/p+1/t18-/m1/s1.
What are the key properties of N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzenesulfonamide?
N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzenesulfonamide has a molecular weight of 347.46 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 8844896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).