N-[[4-(3-fluorophenyl)oxan-4-yl]methylsulfamoyl]-1-phenylmethanamine

C19H23FN2O3S — CID 56883161

IUPACN-[[4-(3-fluorophenyl)oxan-4-yl]methylsulfamoyl]-1-phenylmethanamine
SMILESO=S(=O)(NCc1ccccc1)NCC1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C19H23FN2O3S/c20-18-8-4-7-17(13-18)19(9-11-25-12-10-19)15-22-26(23,24)21-14-16-5-2-1-3-6-16/h1-8,13,21-22H,9-12,14-15H2
InChIKeyCKVPFEUVQZYUBW-UHFFFAOYSA-N
MW378.47 g/mol
LogP2.50
Rot. Bonds7

About N-[[4-(3-fluorophenyl)oxan-4-yl]methylsulfamoyl]-1-phenylmethanamine

N-[[4-(3-fluorophenyl)oxan-4-yl]methylsulfamoyl]-1-phenylmethanamine (PubChem CID 56883161) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[[4-(3-fluorophenyl)oxan-4-yl]methylsulfamoyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[4-(3-fluorophenyl)oxan-4-yl]methylsulfamoyl]-1-phenylmethanamine
PubChem CID56883161
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC NameN-[[4-(3-fluorophenyl)oxan-4-yl]methylsulfamoyl]-1-phenylmethanamine
SMILESO=S(=O)(NCc1ccccc1)NCC1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C19H23FN2O3S/c20-18-8-4-7-17(13-18)19(9-11-25-12-10-19)15-22-26(23,24)21-14-16-5-2-1-3-6-16/h1-8,13,21-22H,9-12,14-15H2
InChIKeyCKVPFEUVQZYUBW-UHFFFAOYSA-N
XLogP2.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-fluorophenyl)oxan-4-yl]methylsulfamoyl]-1-phenylmethanamine?
The IUPAC name of N-[[4-(3-fluorophenyl)oxan-4-yl]methylsulfamoyl]-1-phenylmethanamine (CID 56883161) is N-[[4-(3-fluorophenyl)oxan-4-yl]methylsulfamoyl]-1-phenylmethanamine.
What is the SMILES notation for N-[[4-(3-fluorophenyl)oxan-4-yl]methylsulfamoyl]-1-phenylmethanamine?
The canonical SMILES for N-[[4-(3-fluorophenyl)oxan-4-yl]methylsulfamoyl]-1-phenylmethanamine is O=S(=O)(NCc1ccccc1)NCC1(c2cccc(F)c2)CCOCC1.
What is the InChIKey of N-[[4-(3-fluorophenyl)oxan-4-yl]methylsulfamoyl]-1-phenylmethanamine?
The InChIKey is CKVPFEUVQZYUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c20-18-8-4-7-17(13-18)19(9-11-25-12-10-19)15-22-26(23,24)21-14-16-5-2-1-3-6-16/h1-8,13,21-22H,9-12,14-15H2.
What are the key properties of N-[[4-(3-fluorophenyl)oxan-4-yl]methylsulfamoyl]-1-phenylmethanamine?
N-[[4-(3-fluorophenyl)oxan-4-yl]methylsulfamoyl]-1-phenylmethanamine has a molecular weight of 378.47 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-fluorophenyl)oxan-4-yl]methylsulfamoyl]-1-phenylmethanamine is sourced from PubChem (CID 56883161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).