5-fluoro-2-methoxy-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide

C20H25FN2O4S — CID 30835930

IUPAC5-fluoro-2-methoxy-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NC[C@@H](c1ccc(C)cc1)N1CCOCC1
InChIInChI=1S/C20H25FN2O4S/c1-15-3-5-16(6-4-15)18(23-9-11-27-12-10-23)14-22-28(24,25)20-13-17(21)7-8-19(20)26-2/h3-8,13,18,22H,9-12,14H2,1-2H3/t18-/m0/s1
InChIKeyYQSZTNKERJZMGV-SFHVURJKSA-N
MW408.50 g/mol
LogP2.49
Rot. Bonds7

About 5-fluoro-2-methoxy-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide

5-fluoro-2-methoxy-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide (PubChem CID 30835930) has the molecular formula C20H25FN2O4S and a molecular weight of 408.50 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
PubChem CID30835930
Molecular FormulaC20H25FN2O4S
Molecular Weight408.50 g/mol
Exact Mass408.15
IUPAC Name5-fluoro-2-methoxy-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NC[C@@H](c1ccc(C)cc1)N1CCOCC1
InChIInChI=1S/C20H25FN2O4S/c1-15-3-5-16(6-4-15)18(23-9-11-27-12-10-23)14-22-28(24,25)20-13-17(21)7-8-19(20)26-2/h3-8,13,18,22H,9-12,14H2,1-2H3/t18-/m0/s1
InChIKeyYQSZTNKERJZMGV-SFHVURJKSA-N
XLogP2.49
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-4,5-dimethyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 22694281
2-methoxy-4,5-dimethyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 9125340
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 30673567
4-fluoro-2-methyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 44903236
2,4-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 92787138
1-(2,5-difluorophenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]methanesulfonamide
CID 71796417
2-methoxy-5-methyl-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 30578331
2,4-difluoro-N-[(2R)-2-morpholin-4-yl-2-phenylethyl]benzenesulfonamide
CID 94008610
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylsulfonylbenzenesulfonamide
CID 55558714
4-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 42912963
5-fluoro-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 6487446
2,5-dimethoxy-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 30578468

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide?
The IUPAC name of 5-fluoro-2-methoxy-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide (CID 30835930) is 5-fluoro-2-methoxy-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-methoxy-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-methoxy-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide is COc1ccc(F)cc1S(=O)(=O)NC[C@@H](c1ccc(C)cc1)N1CCOCC1.
What is the InChIKey of 5-fluoro-2-methoxy-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide?
The InChIKey is YQSZTNKERJZMGV-SFHVURJKSA-N. The full InChI is InChI=1S/C20H25FN2O4S/c1-15-3-5-16(6-4-15)18(23-9-11-27-12-10-23)14-22-28(24,25)20-13-17(21)7-8-19(20)26-2/h3-8,13,18,22H,9-12,14H2,1-2H3/t18-/m0/s1.
What are the key properties of 5-fluoro-2-methoxy-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide?
5-fluoro-2-methoxy-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide has a molecular weight of 408.50 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide is sourced from PubChem (CID 30835930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).