(2-hydroxy-3-oxo-2,3-diphenylpropyl) N-methylsulfamate

C16H17NO5S — CID 100918521

IUPAC(2-hydroxy-3-oxo-2,3-diphenylpropyl) N-methylsulfamate
SMILESCNS(=O)(=O)OCC(O)(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO5S/c1-17-23(20,21)22-12-16(19,14-10-6-3-7-11-14)15(18)13-8-4-2-5-9-13/h2-11,17,19H,12H2,1H3
InChIKeyLQPCQWHVNXBLHL-UHFFFAOYSA-N
MW335.38 g/mol
LogP1.24
Rot. Bonds7

About (2-hydroxy-3-oxo-2,3-diphenylpropyl) N-methylsulfamate

(2-hydroxy-3-oxo-2,3-diphenylpropyl) N-methylsulfamate (PubChem CID 100918521) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is (2-hydroxy-3-oxo-2,3-diphenylpropyl) N-methylsulfamate.

Molecular Properties

Compound Name(2-hydroxy-3-oxo-2,3-diphenylpropyl) N-methylsulfamate
PubChem CID100918521
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC Name(2-hydroxy-3-oxo-2,3-diphenylpropyl) N-methylsulfamate
SMILESCNS(=O)(=O)OCC(O)(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO5S/c1-17-23(20,21)22-12-16(19,14-10-6-3-7-11-14)15(18)13-8-4-2-5-9-13/h2-11,17,19H,12H2,1H3
InChIKeyLQPCQWHVNXBLHL-UHFFFAOYSA-N
XLogP1.24
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-hydroxy-3-oxo-2,3-diphenylpropyl) methanesulfonate
CID 19776986
3-[dihydroxy-(4-methylphenyl)-λ4-sulfanyl]oxy-2-hydroxy-1,2-diphenylpropan-1-one
CID 144910591
methoxymethane;methyl 4-hydroxy-5-oxo-4,5-diphenylpentanoate
CID 70602974
(2S)-3-anilino-2-hydroxy-1,2-diphenylpropan-1-one
CID 154714165
benzenesulfonic acid;2,3-dihydroxy-1,2-diphenylpropan-1-one
CID 174475774
methyl 2,2-dihydroxy-3-oxo-3-phenylpropanoate
CID 10081832
methyl 2-amino-2-hydroxy-3-oxo-3-phenylpropanoate
CID 70380510
3-(2-hydroxy-3-oxo-2,3-diphenylpropyl)-4-methylbenzenesulfonic acid
CID 87615156
1-butoxybutane;2-hydroxy-1,2,3-triphenylpropan-1-one
CID 70616091
2-ethyl-1,2-diphenylbutan-1-one
CID 21330983
2-dimethylphosphinothioyl-2-hydroxy-1,2-diphenylethanone
CID 15146257
1-phenyl-2,2-bis(2-phenylpropan-2-yloxy)ethanone
CID 175385823

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-oxo-2,3-diphenylpropyl) N-methylsulfamate?
The IUPAC name of (2-hydroxy-3-oxo-2,3-diphenylpropyl) N-methylsulfamate (CID 100918521) is (2-hydroxy-3-oxo-2,3-diphenylpropyl) N-methylsulfamate.
What is the SMILES notation for (2-hydroxy-3-oxo-2,3-diphenylpropyl) N-methylsulfamate?
The canonical SMILES for (2-hydroxy-3-oxo-2,3-diphenylpropyl) N-methylsulfamate is CNS(=O)(=O)OCC(O)(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (2-hydroxy-3-oxo-2,3-diphenylpropyl) N-methylsulfamate?
The InChIKey is LQPCQWHVNXBLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S/c1-17-23(20,21)22-12-16(19,14-10-6-3-7-11-14)15(18)13-8-4-2-5-9-13/h2-11,17,19H,12H2,1H3.
What are the key properties of (2-hydroxy-3-oxo-2,3-diphenylpropyl) N-methylsulfamate?
(2-hydroxy-3-oxo-2,3-diphenylpropyl) N-methylsulfamate has a molecular weight of 335.38 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-oxo-2,3-diphenylpropyl) N-methylsulfamate is sourced from PubChem (CID 100918521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).