2-amino-2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]propan-1-ol

C22H21F2NO3S — CID 58378909

IUPAC2-amino-2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]propan-1-ol
SMILESCC(N)(CO)c1cccc(CS(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)c1
InChIInChI=1S/C22H21F2NO3S/c1-22(25,14-26)17-4-2-3-15(11-17)13-29(27,28)19-8-5-16(6-9-19)20-10-7-18(23)12-21(20)24/h2-12,26H,13-14,25H2,1H3
InChIKeySBJZSJPLZGUMEN-UHFFFAOYSA-N
MW417.48 g/mol
LogP3.77
Rot. Bonds6

About 2-amino-2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]propan-1-ol

2-amino-2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]propan-1-ol (PubChem CID 58378909) has the molecular formula C22H21F2NO3S and a molecular weight of 417.48 g/mol. Its IUPAC name is 2-amino-2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]propan-1-ol.

Molecular Properties

Compound Name2-amino-2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]propan-1-ol
PubChem CID58378909
Molecular FormulaC22H21F2NO3S
Molecular Weight417.48 g/mol
Exact Mass417.12
IUPAC Name2-amino-2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]propan-1-ol
SMILESCC(N)(CO)c1cccc(CS(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)c1
InChIInChI=1S/C22H21F2NO3S/c1-22(25,14-26)17-4-2-3-15(11-17)13-29(27,28)19-8-5-16(6-9-19)20-10-7-18(23)12-21(20)24/h2-12,26H,13-14,25H2,1H3
InChIKeySBJZSJPLZGUMEN-UHFFFAOYSA-N
XLogP3.77
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.48
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]propan-1-ol?
The IUPAC name of 2-amino-2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]propan-1-ol (CID 58378909) is 2-amino-2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]propan-1-ol.
What is the SMILES notation for 2-amino-2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]propan-1-ol?
The canonical SMILES for 2-amino-2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]propan-1-ol is CC(N)(CO)c1cccc(CS(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)c1.
What is the InChIKey of 2-amino-2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]propan-1-ol?
The InChIKey is SBJZSJPLZGUMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2NO3S/c1-22(25,14-26)17-4-2-3-15(11-17)13-29(27,28)19-8-5-16(6-9-19)20-10-7-18(23)12-21(20)24/h2-12,26H,13-14,25H2,1H3.
What are the key properties of 2-amino-2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]propan-1-ol?
2-amino-2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]propan-1-ol has a molecular weight of 417.48 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]propan-1-ol is sourced from PubChem (CID 58378909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).