N-[5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2-methylphenyl]methanesulfonamide

C19H21FN2O4S — CID 134044426

IUPACN-[5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2-methylphenyl]methanesulfonamide
SMILESCc1ccc(C(=O)N2CCOC(c3ccc(F)cc3)C2)cc1NS(C)(=O)=O
InChIInChI=1S/C19H21FN2O4S/c1-13-3-4-15(11-17(13)21-27(2,24)25)19(23)22-9-10-26-18(12-22)14-5-7-16(20)8-6-14/h3-8,11,18,21H,9-10,12H2,1-2H3
InChIKeyMHALGERPMMMZBP-UHFFFAOYSA-N
MW392.45 g/mol
LogP2.72
Rot. Bonds4

About N-[5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2-methylphenyl]methanesulfonamide

N-[5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2-methylphenyl]methanesulfonamide (PubChem CID 134044426) has the molecular formula C19H21FN2O4S and a molecular weight of 392.45 g/mol. Its IUPAC name is N-[5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2-methylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2-methylphenyl]methanesulfonamide
PubChem CID134044426
Molecular FormulaC19H21FN2O4S
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC NameN-[5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2-methylphenyl]methanesulfonamide
SMILESCc1ccc(C(=O)N2CCOC(c3ccc(F)cc3)C2)cc1NS(C)(=O)=O
InChIInChI=1S/C19H21FN2O4S/c1-13-3-4-15(11-17(13)21-27(2,24)25)19(23)22-9-10-26-18(12-22)14-5-7-16(20)8-6-14/h3-8,11,18,21H,9-10,12H2,1-2H3
InChIKeyMHALGERPMMMZBP-UHFFFAOYSA-N
XLogP2.72
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]methanesulfonamide
CID 134044195
1-[5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2-methylphenyl]imidazolidin-2-one
CID 70761450
(2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 38372236
[2-(4-bromophenyl)morpholin-4-yl]-(4-fluorophenyl)methanone
CID 47913292
4-[4-fluoro-3-(methanesulfonamido)benzoyl]morpholine-2-carboxylic acid
CID 119239726
(4-ethylphenyl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 84545325
N-[3-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]methanesulfonamide
CID 94023065
methyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate
CID 67353366
[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(3-hydroxy-4-nitrophenyl)methanone
CID 38374133
[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-(3-hydroxy-4-nitrophenyl)methanone
CID 38374136
[2-(4-fluorophenyl)morpholin-4-yl]-(5-iodothiophen-3-yl)methanone
CID 78950100
1-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]-3-phenylurea
CID 46570389

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2-methylphenyl]methanesulfonamide?
The IUPAC name of N-[5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2-methylphenyl]methanesulfonamide (CID 134044426) is N-[5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2-methylphenyl]methanesulfonamide.
What is the SMILES notation for N-[5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2-methylphenyl]methanesulfonamide?
The canonical SMILES for N-[5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2-methylphenyl]methanesulfonamide is Cc1ccc(C(=O)N2CCOC(c3ccc(F)cc3)C2)cc1NS(C)(=O)=O.
What is the InChIKey of N-[5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2-methylphenyl]methanesulfonamide?
The InChIKey is MHALGERPMMMZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4S/c1-13-3-4-15(11-17(13)21-27(2,24)25)19(23)22-9-10-26-18(12-22)14-5-7-16(20)8-6-14/h3-8,11,18,21H,9-10,12H2,1-2H3.
What are the key properties of N-[5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2-methylphenyl]methanesulfonamide?
N-[5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2-methylphenyl]methanesulfonamide has a molecular weight of 392.45 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2-methylphenyl]methanesulfonamide is sourced from PubChem (CID 134044426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).