tert-butyl N-[3-(2-fluorosulfonylphenyl)-2,3-dihydroxypropyl]carbamate

C14H20FNO6S — CID 170832430

IUPACtert-butyl N-[3-(2-fluorosulfonylphenyl)-2,3-dihydroxypropyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(O)C(O)c1ccccc1S(=O)(=O)F
InChIInChI=1S/C14H20FNO6S/c1-14(2,3)22-13(19)16-8-10(17)12(18)9-6-4-5-7-11(9)23(15,20)21/h4-7,10,12,17-18H,8H2,1-3H3,(H,16,19)
InChIKeyFQEYMIMMQBPUFJ-UHFFFAOYSA-N
MW349.38 g/mol
LogP1.26
Rot. Bonds5

About tert-butyl N-[3-(2-fluorosulfonylphenyl)-2,3-dihydroxypropyl]carbamate

tert-butyl N-[3-(2-fluorosulfonylphenyl)-2,3-dihydroxypropyl]carbamate (PubChem CID 170832430) has the molecular formula C14H20FNO6S and a molecular weight of 349.38 g/mol. Its IUPAC name is tert-butyl N-[3-(2-fluorosulfonylphenyl)-2,3-dihydroxypropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-fluorosulfonylphenyl)-2,3-dihydroxypropyl]carbamate
PubChem CID170832430
Molecular FormulaC14H20FNO6S
Molecular Weight349.38 g/mol
Exact Mass349.10
IUPAC Nametert-butyl N-[3-(2-fluorosulfonylphenyl)-2,3-dihydroxypropyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(O)C(O)c1ccccc1S(=O)(=O)F
InChIInChI=1S/C14H20FNO6S/c1-14(2,3)22-13(19)16-8-10(17)12(18)9-6-4-5-7-11(9)23(15,20)21/h4-7,10,12,17-18H,8H2,1-3H3,(H,16,19)
InChIKeyFQEYMIMMQBPUFJ-UHFFFAOYSA-N
XLogP1.26
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[3-[2-(bromomethyl)phenyl]-2,3-dihydroxypropyl]carbamate
CID 170833181
tert-butyl N-[2,3-dihydroxy-3-(2-methylsulfanylphenyl)propyl]carbamate
CID 170831645
tert-butyl N-[3-(2,3-dihydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833404
tert-butyl N-[3-(2-fluoro-3-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170831727
tert-butyl N-[3-(3-bromo-2-methylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833188
tert-butyl N-[2,3-dihydroxy-3-(2-prop-2-enoxyphenyl)propyl]carbamate
CID 170833441
tert-butyl N-[3-(2,5-difluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170831686
tert-butyl N-(2,3-dihydroxy-3-pyrimidin-2-ylpropyl)carbamate
CID 170831522
tert-butyl N-[2,3-dihydroxy-3-(2H-indazol-3-yl)propyl]carbamate
CID 170832275
tert-butyl N-[3-(2,5-dimethylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170831671
tert-butyl N-[3-(4,5-diamino-2-methylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170832087
tert-butyl N-[2,3-dihydroxy-3-(9-oxofluoren-2-yl)propyl]carbamate
CID 170833141

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-fluorosulfonylphenyl)-2,3-dihydroxypropyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2-fluorosulfonylphenyl)-2,3-dihydroxypropyl]carbamate (CID 170832430) is tert-butyl N-[3-(2-fluorosulfonylphenyl)-2,3-dihydroxypropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2-fluorosulfonylphenyl)-2,3-dihydroxypropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2-fluorosulfonylphenyl)-2,3-dihydroxypropyl]carbamate is CC(C)(C)OC(=O)NCC(O)C(O)c1ccccc1S(=O)(=O)F.
What is the InChIKey of tert-butyl N-[3-(2-fluorosulfonylphenyl)-2,3-dihydroxypropyl]carbamate?
The InChIKey is FQEYMIMMQBPUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO6S/c1-14(2,3)22-13(19)16-8-10(17)12(18)9-6-4-5-7-11(9)23(15,20)21/h4-7,10,12,17-18H,8H2,1-3H3,(H,16,19).
What are the key properties of tert-butyl N-[3-(2-fluorosulfonylphenyl)-2,3-dihydroxypropyl]carbamate?
tert-butyl N-[3-(2-fluorosulfonylphenyl)-2,3-dihydroxypropyl]carbamate has a molecular weight of 349.38 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2-fluorosulfonylphenyl)-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 170832430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).