1-(3-fluoro-4-methylphenyl)-N-[4-(3-fluorophenyl)oxan-4-yl]methanesulfonamide

C19H21F2NO3S — CID 154741090

IUPAC1-(3-fluoro-4-methylphenyl)-N-[4-(3-fluorophenyl)oxan-4-yl]methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)NC2(c3cccc(F)c3)CCOCC2)cc1F
InChIInChI=1S/C19H21F2NO3S/c1-14-5-6-15(11-18(14)21)13-26(23,24)22-19(7-9-25-10-8-19)16-3-2-4-17(20)12-16/h2-6,11-12,22H,7-10,13H2,1H3
InChIKeyKRHPKTMIZCXPMX-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.40
Rot. Bonds5

About 1-(3-fluoro-4-methylphenyl)-N-[4-(3-fluorophenyl)oxan-4-yl]methanesulfonamide

1-(3-fluoro-4-methylphenyl)-N-[4-(3-fluorophenyl)oxan-4-yl]methanesulfonamide (PubChem CID 154741090) has the molecular formula C19H21F2NO3S and a molecular weight of 381.44 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-N-[4-(3-fluorophenyl)oxan-4-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-N-[4-(3-fluorophenyl)oxan-4-yl]methanesulfonamide
PubChem CID154741090
Molecular FormulaC19H21F2NO3S
Molecular Weight381.44 g/mol
Exact Mass381.12
IUPAC Name1-(3-fluoro-4-methylphenyl)-N-[4-(3-fluorophenyl)oxan-4-yl]methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)NC2(c3cccc(F)c3)CCOCC2)cc1F
InChIInChI=1S/C19H21F2NO3S/c1-14-5-6-15(11-18(14)21)13-26(23,24)22-19(7-9-25-10-8-19)16-3-2-4-17(20)12-16/h2-6,11-12,22H,7-10,13H2,1H3
InChIKeyKRHPKTMIZCXPMX-UHFFFAOYSA-N
XLogP3.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-[4-(3-fluorophenyl)oxan-4-yl]methanesulfonamide?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-[4-(3-fluorophenyl)oxan-4-yl]methanesulfonamide (CID 154741090) is 1-(3-fluoro-4-methylphenyl)-N-[4-(3-fluorophenyl)oxan-4-yl]methanesulfonamide.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-N-[4-(3-fluorophenyl)oxan-4-yl]methanesulfonamide?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-N-[4-(3-fluorophenyl)oxan-4-yl]methanesulfonamide is Cc1ccc(CS(=O)(=O)NC2(c3cccc(F)c3)CCOCC2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-N-[4-(3-fluorophenyl)oxan-4-yl]methanesulfonamide?
The InChIKey is KRHPKTMIZCXPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO3S/c1-14-5-6-15(11-18(14)21)13-26(23,24)22-19(7-9-25-10-8-19)16-3-2-4-17(20)12-16/h2-6,11-12,22H,7-10,13H2,1H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-N-[4-(3-fluorophenyl)oxan-4-yl]methanesulfonamide?
1-(3-fluoro-4-methylphenyl)-N-[4-(3-fluorophenyl)oxan-4-yl]methanesulfonamide has a molecular weight of 381.44 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-N-[4-(3-fluorophenyl)oxan-4-yl]methanesulfonamide is sourced from PubChem (CID 154741090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).