2-[[cyclohexyl(methyl)sulfamoyl]-(2,2-difluoroethyl)amino]ethanol

C11H22F2N2O3S — CID 107483682

IUPAC2-[[cyclohexyl(methyl)sulfamoyl]-(2,2-difluoroethyl)amino]ethanol
SMILESCN(C1CCCCC1)S(=O)(=O)N(CCO)CC(F)F
InChIInChI=1S/C11H22F2N2O3S/c1-14(10-5-3-2-4-6-10)19(17,18)15(7-8-16)9-11(12)13/h10-11,16H,2-9H2,1H3
InChIKeyYHNHEAPVFVOZQI-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.06
Rot. Bonds7

About 2-[[cyclohexyl(methyl)sulfamoyl]-(2,2-difluoroethyl)amino]ethanol

2-[[cyclohexyl(methyl)sulfamoyl]-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107483682) has the molecular formula C11H22F2N2O3S and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-[[cyclohexyl(methyl)sulfamoyl]-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[cyclohexyl(methyl)sulfamoyl]-(2,2-difluoroethyl)amino]ethanol
PubChem CID107483682
Molecular FormulaC11H22F2N2O3S
Molecular Weight300.37 g/mol
Exact Mass300.13
IUPAC Name2-[[cyclohexyl(methyl)sulfamoyl]-(2,2-difluoroethyl)amino]ethanol
SMILESCN(C1CCCCC1)S(=O)(=O)N(CCO)CC(F)F
InChIInChI=1S/C11H22F2N2O3S/c1-14(10-5-3-2-4-6-10)19(17,18)15(7-8-16)9-11(12)13/h10-11,16H,2-9H2,1H3
InChIKeyYHNHEAPVFVOZQI-UHFFFAOYSA-N
XLogP1.06
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclohexyl(2,2-difluoroethyl)amino]ethanol
CID 62016408
2-[[cyclohexyl(methyl)sulfamoyl]-methylamino]-2-methylpropan-1-ol
CID 113351311
2-[cyclohexyl(methyl)amino]ethanol;hydrochloride
CID 69010720
methyl 2-[[cyclohexyl(methyl)sulfamoyl]-propylamino]acetate
CID 60539567
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)piperidine-4-sulfonamide
CID 107480952
N-cyclobutyl-N-(2-hydroxyethyl)propane-2-sulfonamide
CID 102675881
2-[[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]amino]-2-methylpropane
CID 107483602
N-(2,2-difluoroethyl)-4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 107479241
[methyl-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]amino]cyclohexane
CID 103834038
4-N-[cyclohexyl(methyl)sulfamoyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121228
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 107483562
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 107480963

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclohexyl(methyl)sulfamoyl]-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[[cyclohexyl(methyl)sulfamoyl]-(2,2-difluoroethyl)amino]ethanol (CID 107483682) is 2-[[cyclohexyl(methyl)sulfamoyl]-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[cyclohexyl(methyl)sulfamoyl]-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[cyclohexyl(methyl)sulfamoyl]-(2,2-difluoroethyl)amino]ethanol is CN(C1CCCCC1)S(=O)(=O)N(CCO)CC(F)F.
What is the InChIKey of 2-[[cyclohexyl(methyl)sulfamoyl]-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is YHNHEAPVFVOZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2O3S/c1-14(10-5-3-2-4-6-10)19(17,18)15(7-8-16)9-11(12)13/h10-11,16H,2-9H2,1H3.
What are the key properties of 2-[[cyclohexyl(methyl)sulfamoyl]-(2,2-difluoroethyl)amino]ethanol?
2-[[cyclohexyl(methyl)sulfamoyl]-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 300.37 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclohexyl(methyl)sulfamoyl]-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107483682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).