N-(2-hydroxy-2,2-diphenylethyl)-N-methylsulfamoyl fluoride

C15H16FNO3S — CID 171778715

IUPACN-(2-hydroxy-2,2-diphenylethyl)-N-methylsulfamoyl fluoride
SMILESCN(CC(O)(c1ccccc1)c1ccccc1)S(=O)(=O)F
InChIInChI=1S/C15H16FNO3S/c1-17(21(16,19)20)12-15(18,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,18H,12H2,1H3
InChIKeyDVMCCEXVNPQCHK-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.07
Rot. Bonds5

About N-(2-hydroxy-2,2-diphenylethyl)-N-methylsulfamoyl fluoride

N-(2-hydroxy-2,2-diphenylethyl)-N-methylsulfamoyl fluoride (PubChem CID 171778715) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is N-(2-hydroxy-2,2-diphenylethyl)-N-methylsulfamoyl fluoride.

Molecular Properties

Compound NameN-(2-hydroxy-2,2-diphenylethyl)-N-methylsulfamoyl fluoride
PubChem CID171778715
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC NameN-(2-hydroxy-2,2-diphenylethyl)-N-methylsulfamoyl fluoride
SMILESCN(CC(O)(c1ccccc1)c1ccccc1)S(=O)(=O)F
InChIInChI=1S/C15H16FNO3S/c1-17(21(16,19)20)12-15(18,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,18H,12H2,1H3
InChIKeyDVMCCEXVNPQCHK-UHFFFAOYSA-N
XLogP2.07
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-hydroxy-2,2-diphenylethyl)-N-methylsulfamoyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(N-methylanilino)-1,1-diphenylethanol
CID 138972494
2-[[(1S,2S)-2-[(2-hydroxy-2,2-diphenylethyl)-methylamino]cyclohexyl]-methylamino]-1,1-diphenylethanol
CID 101490678
N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60762861
1-[methyl(4-methylpentan-2-yl)amino]-2-phenylpropan-2-ol
CID 55068286
N-methyl-N-[1-[(3S)-4,4,4-trifluoro-3-hydroxy-3-phenylbutanoyl]piperidin-4-yl]ethanesulfonamide
CID 97339935
2-methylsulfonyl-2-phenylbutanoic acid
CID 177255182
3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1,1-diphenylpropan-1-ol
CID 70515525
7,7,7-trifluoro-3-phenylheptan-3-ol
CID 113326695
5-(dimethylamino)-1,1-diphenylpent-3-en-1-ol;hydrochloride
CID 171145453
1-[ethyl(propan-2-yl)amino]-2-phenylpropan-2-ol
CID 62374985
2-iodo-1,1-diphenylethanol
CID 11738821
1-(dimethylamino)-1-phenylethanesulfonic acid
CID 174528406

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,2-diphenylethyl)-N-methylsulfamoyl fluoride?
The IUPAC name of N-(2-hydroxy-2,2-diphenylethyl)-N-methylsulfamoyl fluoride (CID 171778715) is N-(2-hydroxy-2,2-diphenylethyl)-N-methylsulfamoyl fluoride.
What is the SMILES notation for N-(2-hydroxy-2,2-diphenylethyl)-N-methylsulfamoyl fluoride?
The canonical SMILES for N-(2-hydroxy-2,2-diphenylethyl)-N-methylsulfamoyl fluoride is CN(CC(O)(c1ccccc1)c1ccccc1)S(=O)(=O)F.
What is the InChIKey of N-(2-hydroxy-2,2-diphenylethyl)-N-methylsulfamoyl fluoride?
The InChIKey is DVMCCEXVNPQCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S/c1-17(21(16,19)20)12-15(18,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,18H,12H2,1H3.
What are the key properties of N-(2-hydroxy-2,2-diphenylethyl)-N-methylsulfamoyl fluoride?
N-(2-hydroxy-2,2-diphenylethyl)-N-methylsulfamoyl fluoride has a molecular weight of 309.36 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,2-diphenylethyl)-N-methylsulfamoyl fluoride is sourced from PubChem (CID 171778715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).