1-(2,4-difluorophenyl)-N-[3-(2-hydroxycyclohexyl)propyl]methanesulfonamide

C16H23F2NO3S — CID 84599149

IUPAC1-(2,4-difluorophenyl)-N-[3-(2-hydroxycyclohexyl)propyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1F)NCCCC1CCCCC1O
InChIInChI=1S/C16H23F2NO3S/c17-14-8-7-13(15(18)10-14)11-23(21,22)19-9-3-5-12-4-1-2-6-16(12)20/h7-8,10,12,16,19-20H,1-6,9,11H2
InChIKeyBMSXQEOMOOJULI-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.72
Rot. Bonds7

About 1-(2,4-difluorophenyl)-N-[3-(2-hydroxycyclohexyl)propyl]methanesulfonamide

1-(2,4-difluorophenyl)-N-[3-(2-hydroxycyclohexyl)propyl]methanesulfonamide (PubChem CID 84599149) has the molecular formula C16H23F2NO3S and a molecular weight of 347.43 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-[3-(2-hydroxycyclohexyl)propyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-[3-(2-hydroxycyclohexyl)propyl]methanesulfonamide
PubChem CID84599149
Molecular FormulaC16H23F2NO3S
Molecular Weight347.43 g/mol
Exact Mass347.14
IUPAC Name1-(2,4-difluorophenyl)-N-[3-(2-hydroxycyclohexyl)propyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1F)NCCCC1CCCCC1O
InChIInChI=1S/C16H23F2NO3S/c17-14-8-7-13(15(18)10-14)11-23(21,22)19-9-3-5-12-4-1-2-6-16(12)20/h7-8,10,12,16,19-20H,1-6,9,11H2
InChIKeyBMSXQEOMOOJULI-UHFFFAOYSA-N
XLogP2.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-difluorophenyl)-N-[(2-hydroxy-1-methylcyclohexyl)methyl]methanesulfonamide
CID 110018928
5-fluoro-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide
CID 64913291
(2,4-difluorophenyl)methanesulfonic acid
CID 87155472
1-cyclopentyl-N-[(2,4-difluorophenyl)methyl]methanamine
CID 43317286
1-(2,4-difluorophenyl)-N-(4-propan-2-yloxycyclohexyl)methanesulfonamide
CID 75475359
2-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 64913293
3-fluoro-4-[3-(2-hydroxycyclohexyl)propylamino]benzonitrile
CID 133384912
1-[(2,4-difluorophenyl)methylsulfonyl]piperidin-3-ol
CID 110018860
2,4-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 64928717
2,4-difluoro-1-[(4-fluorophenyl)sulfonylmethyl]benzene
CID 64717962
1-(2,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide
CID 110018886
2-bromo-4,6-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 64913911

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-[3-(2-hydroxycyclohexyl)propyl]methanesulfonamide?
The IUPAC name of 1-(2,4-difluorophenyl)-N-[3-(2-hydroxycyclohexyl)propyl]methanesulfonamide (CID 84599149) is 1-(2,4-difluorophenyl)-N-[3-(2-hydroxycyclohexyl)propyl]methanesulfonamide.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-[3-(2-hydroxycyclohexyl)propyl]methanesulfonamide?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-[3-(2-hydroxycyclohexyl)propyl]methanesulfonamide is O=S(=O)(Cc1ccc(F)cc1F)NCCCC1CCCCC1O.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-[3-(2-hydroxycyclohexyl)propyl]methanesulfonamide?
The InChIKey is BMSXQEOMOOJULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO3S/c17-14-8-7-13(15(18)10-14)11-23(21,22)19-9-3-5-12-4-1-2-6-16(12)20/h7-8,10,12,16,19-20H,1-6,9,11H2.
What are the key properties of 1-(2,4-difluorophenyl)-N-[3-(2-hydroxycyclohexyl)propyl]methanesulfonamide?
1-(2,4-difluorophenyl)-N-[3-(2-hydroxycyclohexyl)propyl]methanesulfonamide has a molecular weight of 347.43 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-[3-(2-hydroxycyclohexyl)propyl]methanesulfonamide is sourced from PubChem (CID 84599149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).