1-(3,5-difluorophenyl)-N-[oxan-4-yl(thiophen-2-yl)methyl]methanesulfonamide

C17H19F2NO3S2 — CID 134161822

IUPAC1-(3,5-difluorophenyl)-N-[oxan-4-yl(thiophen-2-yl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1cc(F)cc(F)c1)NC(c1cccs1)C1CCOCC1
InChIInChI=1S/C17H19F2NO3S2/c18-14-8-12(9-15(19)10-14)11-25(21,22)20-17(16-2-1-7-24-16)13-3-5-23-6-4-13/h1-2,7-10,13,17,20H,3-6,11H2
InChIKeyJODVHXSBMUUXRG-UHFFFAOYSA-N
MW387.47 g/mol
LogP3.61
Rot. Bonds6

About 1-(3,5-difluorophenyl)-N-[oxan-4-yl(thiophen-2-yl)methyl]methanesulfonamide

1-(3,5-difluorophenyl)-N-[oxan-4-yl(thiophen-2-yl)methyl]methanesulfonamide (PubChem CID 134161822) has the molecular formula C17H19F2NO3S2 and a molecular weight of 387.47 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-[oxan-4-yl(thiophen-2-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-[oxan-4-yl(thiophen-2-yl)methyl]methanesulfonamide
PubChem CID134161822
Molecular FormulaC17H19F2NO3S2
Molecular Weight387.47 g/mol
Exact Mass387.08
IUPAC Name1-(3,5-difluorophenyl)-N-[oxan-4-yl(thiophen-2-yl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1cc(F)cc(F)c1)NC(c1cccs1)C1CCOCC1
InChIInChI=1S/C17H19F2NO3S2/c18-14-8-12(9-15(19)10-14)11-25(21,22)20-17(16-2-1-7-24-16)13-3-5-23-6-4-13/h1-2,7-10,13,17,20H,3-6,11H2
InChIKeyJODVHXSBMUUXRG-UHFFFAOYSA-N
XLogP3.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-[oxan-4-yl(thiophen-2-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(3,5-difluorophenyl)-N-[oxan-4-yl(thiophen-2-yl)methyl]methanesulfonamide (CID 134161822) is 1-(3,5-difluorophenyl)-N-[oxan-4-yl(thiophen-2-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-[oxan-4-yl(thiophen-2-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-[oxan-4-yl(thiophen-2-yl)methyl]methanesulfonamide is O=S(=O)(Cc1cc(F)cc(F)c1)NC(c1cccs1)C1CCOCC1.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-[oxan-4-yl(thiophen-2-yl)methyl]methanesulfonamide?
The InChIKey is JODVHXSBMUUXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO3S2/c18-14-8-12(9-15(19)10-14)11-25(21,22)20-17(16-2-1-7-24-16)13-3-5-23-6-4-13/h1-2,7-10,13,17,20H,3-6,11H2.
What are the key properties of 1-(3,5-difluorophenyl)-N-[oxan-4-yl(thiophen-2-yl)methyl]methanesulfonamide?
1-(3,5-difluorophenyl)-N-[oxan-4-yl(thiophen-2-yl)methyl]methanesulfonamide has a molecular weight of 387.47 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-N-[oxan-4-yl(thiophen-2-yl)methyl]methanesulfonamide is sourced from PubChem (CID 134161822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).