N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide

C17H19FN2O4S — CID 9426583

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide
SMILESCON(C)S(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H19FN2O4S/c1-12(13-4-8-15(18)9-5-13)19-17(21)14-6-10-16(11-7-14)25(22,23)20(2)24-3/h4-12H,1-3H3,(H,19,21)/t12-/m1/s1
InChIKeyDDCBHDQXGUHBEK-GFCCVEGCSA-N
MW366.41 g/mol
LogP2.50
Rot. Bonds6

About N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide

N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide (PubChem CID 9426583) has the molecular formula C17H19FN2O4S and a molecular weight of 366.41 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide
PubChem CID9426583
Molecular FormulaC17H19FN2O4S
Molecular Weight366.41 g/mol
Exact Mass366.10
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide
SMILESCON(C)S(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H19FN2O4S/c1-12(13-4-8-15(18)9-5-13)19-17(21)14-6-10-16(11-7-14)25(22,23)20(2)24-3/h4-12H,1-3H3,(H,19,21)/t12-/m1/s1
InChIKeyDDCBHDQXGUHBEK-GFCCVEGCSA-N
XLogP2.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 55894651
4-[methoxy(methyl)sulfamoyl]-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 9162366
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 92672272
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(methylsulfamoyl)benzamide
CID 51537719
N-[2-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 55948510
N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 17406706
N-[1-(4-fluorophenyl)ethyl]-4-(methoxymethyl)benzamide
CID 17435884
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 4-[methoxy(methyl)sulfamoyl]benzoate
CID 8944089
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 4-[methoxy(methyl)sulfamoyl]benzoate
CID 8944092
N-[2-(4-fluorophenyl)ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 9210483
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 92685580
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 9410067

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide (CID 9426583) is N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide is CON(C)S(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide?
The InChIKey is DDCBHDQXGUHBEK-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19FN2O4S/c1-12(13-4-8-15(18)9-5-13)19-17(21)14-6-10-16(11-7-14)25(22,23)20(2)24-3/h4-12H,1-3H3,(H,19,21)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide?
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide has a molecular weight of 366.41 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide is sourced from PubChem (CID 9426583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).