(2R,3S)-N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride

C13H19ClFN3O4S — CID 120921201

IUPAC(2R,3S)-N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1.Cl
InChIInChI=1S/C13H18FN3O4S.ClH/c1-8-12(15-5-6-21-8)13(18)16-9-3-4-10(14)11(7-9)17-22(2,19)20;/h3-4,7-8,12,15,17H,5-6H2,1-2H3,(H,16,18);1H/t8-,12+;/m1./s1
InChIKeyGZOSOEPXYRCISL-YFUGSSCLSA-N
MW367.83 g/mol
LogP0.93
Rot. Bonds4

About (2R,3S)-N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride

(2R,3S)-N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120921201) has the molecular formula C13H19ClFN3O4S and a molecular weight of 367.83 g/mol. Its IUPAC name is (2R,3S)-N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID120921201
Molecular FormulaC13H19ClFN3O4S
Molecular Weight367.83 g/mol
Exact Mass367.08
IUPAC Name(2R,3S)-N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1.Cl
InChIInChI=1S/C13H18FN3O4S.ClH/c1-8-12(15-5-6-21-8)13(18)16-9-3-4-10(14)11(7-9)17-22(2,19)20;/h3-4,7-8,12,15,17H,5-6H2,1-2H3,(H,16,18);1H/t8-,12+;/m1./s1
InChIKeyGZOSOEPXYRCISL-YFUGSSCLSA-N
XLogP0.93
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.83
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 120922063
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(2R,3S)-N-[3-(benzenesulfonamido)-4-methylphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120922520
(2R,3S)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120926431
(2R)-N-[4-fluoro-3-(methanesulfonamido)phenyl]piperidine-2-carboxamide;hydrochloride
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N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-methylpyrrolidine-3-carboxamide
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(2S)-N-[4-fluoro-3-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
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(2R,3S)-N-(3,5-difluoro-4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120929742
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(2R,3S)-N-(4-ethoxy-3-fluorophenyl)-2-methylmorpholine-3-carboxamide
CID 120926803
(2R,3S)-N-(4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917297
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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride (CID 120921201) is (2R,3S)-N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride is C[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1.Cl.
What is the InChIKey of (2R,3S)-N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is GZOSOEPXYRCISL-YFUGSSCLSA-N. The full InChI is InChI=1S/C13H18FN3O4S.ClH/c1-8-12(15-5-6-21-8)13(18)16-9-3-4-10(14)11(7-9)17-22(2,19)20;/h3-4,7-8,12,15,17H,5-6H2,1-2H3,(H,16,18);1H/t8-,12+;/m1./s1.
What are the key properties of (2R,3S)-N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 367.83 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120921201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).