[1-[(2,3-difluorophenoxy)methyl]cyclohexyl]methanesulfonamide

C14H19F2NO3S — CID 65007096

IUPAC[1-[(2,3-difluorophenoxy)methyl]cyclohexyl]methanesulfonamide
SMILESNS(=O)(=O)CC1(COc2cccc(F)c2F)CCCCC1
InChIInChI=1S/C14H19F2NO3S/c15-11-5-4-6-12(13(11)16)20-9-14(10-21(17,18)19)7-2-1-3-8-14/h4-6H,1-3,7-10H2,(H2,17,18,19)
InChIKeyVRCMLURTSVDDBH-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.58
Rot. Bonds5

About [1-[(2,3-difluorophenoxy)methyl]cyclohexyl]methanesulfonamide

[1-[(2,3-difluorophenoxy)methyl]cyclohexyl]methanesulfonamide (PubChem CID 65007096) has the molecular formula C14H19F2NO3S and a molecular weight of 319.37 g/mol. Its IUPAC name is [1-[(2,3-difluorophenoxy)methyl]cyclohexyl]methanesulfonamide.

Molecular Properties

Compound Name[1-[(2,3-difluorophenoxy)methyl]cyclohexyl]methanesulfonamide
PubChem CID65007096
Molecular FormulaC14H19F2NO3S
Molecular Weight319.37 g/mol
Exact Mass319.11
IUPAC Name[1-[(2,3-difluorophenoxy)methyl]cyclohexyl]methanesulfonamide
SMILESNS(=O)(=O)CC1(COc2cccc(F)c2F)CCCCC1
InChIInChI=1S/C14H19F2NO3S/c15-11-5-4-6-12(13(11)16)20-9-14(10-21(17,18)19)7-2-1-3-8-14/h4-6H,1-3,7-10H2,(H2,17,18,19)
InChIKeyVRCMLURTSVDDBH-UHFFFAOYSA-N
XLogP2.58
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(2,3-difluorophenoxy)methyl]oxan-4-yl]methanesulfonamide
CID 65006053
[1-[(2,6-difluorophenoxy)methyl]cyclohexyl]methanesulfonamide
CID 81265285
[1-[(2,3-dichlorophenoxy)methyl]cyclohexyl]methanesulfonamide
CID 65006606
[1-(phenoxymethyl)cyclohexyl]methanesulfonamide
CID 65006602
[1-[(2-cyanophenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65002803
[1-[(2,6-dimethylphenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65003339
[1-[(4-chloro-2-methylphenoxy)methyl]cyclohexyl]methanesulfonamide
CID 65006703
[1-[(3-chlorophenoxy)methyl]cycloheptyl]methanesulfonamide
CID 65010191
[1-[(4-chlorophenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65002799
[1-[(4-chloro-3-fluorophenoxy)methyl]cyclopentyl]methanesulfonamide
CID 82727324
[1-[(3-propan-2-ylphenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65003158
4-(bromomethyl)-4-[(2,3-difluorophenoxy)methyl]oxane
CID 65004281

Frequently Asked Questions

What is the IUPAC name of [1-[(2,3-difluorophenoxy)methyl]cyclohexyl]methanesulfonamide?
The IUPAC name of [1-[(2,3-difluorophenoxy)methyl]cyclohexyl]methanesulfonamide (CID 65007096) is [1-[(2,3-difluorophenoxy)methyl]cyclohexyl]methanesulfonamide.
What is the SMILES notation for [1-[(2,3-difluorophenoxy)methyl]cyclohexyl]methanesulfonamide?
The canonical SMILES for [1-[(2,3-difluorophenoxy)methyl]cyclohexyl]methanesulfonamide is NS(=O)(=O)CC1(COc2cccc(F)c2F)CCCCC1.
What is the InChIKey of [1-[(2,3-difluorophenoxy)methyl]cyclohexyl]methanesulfonamide?
The InChIKey is VRCMLURTSVDDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO3S/c15-11-5-4-6-12(13(11)16)20-9-14(10-21(17,18)19)7-2-1-3-8-14/h4-6H,1-3,7-10H2,(H2,17,18,19).
What are the key properties of [1-[(2,3-difluorophenoxy)methyl]cyclohexyl]methanesulfonamide?
[1-[(2,3-difluorophenoxy)methyl]cyclohexyl]methanesulfonamide has a molecular weight of 319.37 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,3-difluorophenoxy)methyl]cyclohexyl]methanesulfonamide is sourced from PubChem (CID 65007096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).