cyclopropyl-[(4-fluorophenyl)methyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium

C19H22FN2O3S+ — CID 8906848

IUPACcyclopropyl-[(4-fluorophenyl)methyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
SMILESCS(=O)(=O)c1cccc(NC(=O)C[NH+](Cc2ccc(F)cc2)C2CC2)c1
InChIInChI=1S/C19H21FN2O3S/c1-26(24,25)18-4-2-3-16(11-18)21-19(23)13-22(17-9-10-17)12-14-5-7-15(20)8-6-14/h2-8,11,17H,9-10,12-13H2,1H3,(H,21,23)/p+1
InChIKeyHRFFRKMXIVQWTH-UHFFFAOYSA-O
MW377.46 g/mol
LogP1.42
Rot. Bonds7

About cyclopropyl-[(4-fluorophenyl)methyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium

cyclopropyl-[(4-fluorophenyl)methyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium (PubChem CID 8906848) has the molecular formula C19H22FN2O3S+ and a molecular weight of 377.46 g/mol. Its IUPAC name is cyclopropyl-[(4-fluorophenyl)methyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Namecyclopropyl-[(4-fluorophenyl)methyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
PubChem CID8906848
Molecular FormulaC19H22FN2O3S+
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC Namecyclopropyl-[(4-fluorophenyl)methyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
SMILESCS(=O)(=O)c1cccc(NC(=O)C[NH+](Cc2ccc(F)cc2)C2CC2)c1
InChIInChI=1S/C19H21FN2O3S/c1-26(24,25)18-4-2-3-16(11-18)21-19(23)13-22(17-9-10-17)12-14-5-7-15(20)8-6-14/h2-8,11,17H,9-10,12-13H2,1H3,(H,21,23)/p+1
InChIKeyHRFFRKMXIVQWTH-UHFFFAOYSA-O
XLogP1.42
TPSA67.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-acetylanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
CID 8872509
cyclopropyl-[2-(3,4-dimethylanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8872593
cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium
CID 8770207
[2-(4-acetamidoanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
CID 8905025
cyclopropyl-[2-(4-ethylanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8872573
methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]-[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 8595928
cyclopropyl-[2-(2-fluoroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8905006
N-(3-methylsulfonylphenyl)butanamide
CID 37391541
cyclopropyl-[(4-fluorophenyl)methyl]-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
CID 8905597
cyclopropyl-[(4-fluorophenyl)methyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
CID 8904985
N-(3-fluorophenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771361
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9253307

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(4-fluorophenyl)methyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium?
The IUPAC name of cyclopropyl-[(4-fluorophenyl)methyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium (CID 8906848) is cyclopropyl-[(4-fluorophenyl)methyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium.
What is the SMILES notation for cyclopropyl-[(4-fluorophenyl)methyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium?
The canonical SMILES for cyclopropyl-[(4-fluorophenyl)methyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium is CS(=O)(=O)c1cccc(NC(=O)C[NH+](Cc2ccc(F)cc2)C2CC2)c1.
What is the InChIKey of cyclopropyl-[(4-fluorophenyl)methyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium?
The InChIKey is HRFFRKMXIVQWTH-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H21FN2O3S/c1-26(24,25)18-4-2-3-16(11-18)21-19(23)13-22(17-9-10-17)12-14-5-7-15(20)8-6-14/h2-8,11,17H,9-10,12-13H2,1H3,(H,21,23)/p+1.
What are the key properties of cyclopropyl-[(4-fluorophenyl)methyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium?
cyclopropyl-[(4-fluorophenyl)methyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium has a molecular weight of 377.46 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(4-fluorophenyl)methyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 8906848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).