1-cyclohexyl-N-(2,2-difluoro-3-hydroxypropyl)methanesulfonamide

C10H19F2NO3S — CID 104858717

IUPAC1-cyclohexyl-N-(2,2-difluoro-3-hydroxypropyl)methanesulfonamide
SMILESO=S(=O)(CC1CCCCC1)NCC(F)(F)CO
InChIInChI=1S/C10H19F2NO3S/c11-10(12,8-14)7-13-17(15,16)6-9-4-2-1-3-5-9/h9,13-14H,1-8H2
InChIKeyWIXYGRCCGFPIPI-UHFFFAOYSA-N
MW271.33 g/mol
LogP1.11
Rot. Bonds6

About 1-cyclohexyl-N-(2,2-difluoro-3-hydroxypropyl)methanesulfonamide

1-cyclohexyl-N-(2,2-difluoro-3-hydroxypropyl)methanesulfonamide (PubChem CID 104858717) has the molecular formula C10H19F2NO3S and a molecular weight of 271.33 g/mol. Its IUPAC name is 1-cyclohexyl-N-(2,2-difluoro-3-hydroxypropyl)methanesulfonamide.

Molecular Properties

Compound Name1-cyclohexyl-N-(2,2-difluoro-3-hydroxypropyl)methanesulfonamide
PubChem CID104858717
Molecular FormulaC10H19F2NO3S
Molecular Weight271.33 g/mol
Exact Mass271.11
IUPAC Name1-cyclohexyl-N-(2,2-difluoro-3-hydroxypropyl)methanesulfonamide
SMILESO=S(=O)(CC1CCCCC1)NCC(F)(F)CO
InChIInChI=1S/C10H19F2NO3S/c11-10(12,8-14)7-13-17(15,16)6-9-4-2-1-3-5-9/h9,13-14H,1-8H2
InChIKeyWIXYGRCCGFPIPI-UHFFFAOYSA-N
XLogP1.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(2,2-difluoro-3-hydroxypropyl)methanesulfonamide?
The IUPAC name of 1-cyclohexyl-N-(2,2-difluoro-3-hydroxypropyl)methanesulfonamide (CID 104858717) is 1-cyclohexyl-N-(2,2-difluoro-3-hydroxypropyl)methanesulfonamide.
What is the SMILES notation for 1-cyclohexyl-N-(2,2-difluoro-3-hydroxypropyl)methanesulfonamide?
The canonical SMILES for 1-cyclohexyl-N-(2,2-difluoro-3-hydroxypropyl)methanesulfonamide is O=S(=O)(CC1CCCCC1)NCC(F)(F)CO.
What is the InChIKey of 1-cyclohexyl-N-(2,2-difluoro-3-hydroxypropyl)methanesulfonamide?
The InChIKey is WIXYGRCCGFPIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO3S/c11-10(12,8-14)7-13-17(15,16)6-9-4-2-1-3-5-9/h9,13-14H,1-8H2.
What are the key properties of 1-cyclohexyl-N-(2,2-difluoro-3-hydroxypropyl)methanesulfonamide?
1-cyclohexyl-N-(2,2-difluoro-3-hydroxypropyl)methanesulfonamide has a molecular weight of 271.33 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(2,2-difluoro-3-hydroxypropyl)methanesulfonamide is sourced from PubChem (CID 104858717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).