2-(4-fluorophenyl)sulfonyl-N-(methylsulfamoyl)-2-phenylethanamine

C15H17FN2O4S2 — CID 110633347

IUPAC2-(4-fluorophenyl)sulfonyl-N-(methylsulfamoyl)-2-phenylethanamine
SMILESCNS(=O)(=O)NCC(c1ccccc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H17FN2O4S2/c1-17-24(21,22)18-11-15(12-5-3-2-4-6-12)23(19,20)14-9-7-13(16)8-10-14/h2-10,15,17-18H,11H2,1H3
InChIKeyIBDJRHZEZWPGOZ-UHFFFAOYSA-N
MW372.44 g/mol
LogP1.39
Rot. Bonds7

About 2-(4-fluorophenyl)sulfonyl-N-(methylsulfamoyl)-2-phenylethanamine

2-(4-fluorophenyl)sulfonyl-N-(methylsulfamoyl)-2-phenylethanamine (PubChem CID 110633347) has the molecular formula C15H17FN2O4S2 and a molecular weight of 372.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonyl-N-(methylsulfamoyl)-2-phenylethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonyl-N-(methylsulfamoyl)-2-phenylethanamine
PubChem CID110633347
Molecular FormulaC15H17FN2O4S2
Molecular Weight372.44 g/mol
Exact Mass372.06
IUPAC Name2-(4-fluorophenyl)sulfonyl-N-(methylsulfamoyl)-2-phenylethanamine
SMILESCNS(=O)(=O)NCC(c1ccccc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H17FN2O4S2/c1-17-24(21,22)18-11-15(12-5-3-2-4-6-12)23(19,20)14-9-7-13(16)8-10-14/h2-10,15,17-18H,11H2,1H3
InChIKeyIBDJRHZEZWPGOZ-UHFFFAOYSA-N
XLogP1.39
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-(4-fluorophenyl)sulfonyl-2-phenylethyl]azanium
CID 9161761
(2S)-2-(4-fluorophenyl)sulfonyl-2-phenylethanamine
CID 9161758
N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]-3-methylbutanamide
CID 110315057
N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]furan-2-carboxamide
CID 110315060
1-acetyl-N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]piperidine-4-carboxamide
CID 108804458
N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]-3-propyl-1-benzothiophene-2-carboxamide
CID 110497146
2-(4-fluorophenyl)-N-(methylsulfamoyl)-2-pyrrolidin-1-ylethanamine
CID 110623873
N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 84564652
N'-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-N-methyloxamide
CID 9185098
N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]methanesulfonamide
CID 18574141
N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 9155547
N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]ethanesulfonamide
CID 7268411

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-(methylsulfamoyl)-2-phenylethanamine?
The IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-(methylsulfamoyl)-2-phenylethanamine (CID 110633347) is 2-(4-fluorophenyl)sulfonyl-N-(methylsulfamoyl)-2-phenylethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonyl-N-(methylsulfamoyl)-2-phenylethanamine?
The canonical SMILES for 2-(4-fluorophenyl)sulfonyl-N-(methylsulfamoyl)-2-phenylethanamine is CNS(=O)(=O)NCC(c1ccccc1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfonyl-N-(methylsulfamoyl)-2-phenylethanamine?
The InChIKey is IBDJRHZEZWPGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O4S2/c1-17-24(21,22)18-11-15(12-5-3-2-4-6-12)23(19,20)14-9-7-13(16)8-10-14/h2-10,15,17-18H,11H2,1H3.
What are the key properties of 2-(4-fluorophenyl)sulfonyl-N-(methylsulfamoyl)-2-phenylethanamine?
2-(4-fluorophenyl)sulfonyl-N-(methylsulfamoyl)-2-phenylethanamine has a molecular weight of 372.44 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonyl-N-(methylsulfamoyl)-2-phenylethanamine is sourced from PubChem (CID 110633347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).