[2-(4-chlorophenoxy)-2-methylpropyl] sulfamate

C10H14ClNO4S — CID 19733457

IUPAC[2-(4-chlorophenoxy)-2-methylpropyl] sulfamate
SMILESCC(C)(COS(N)(=O)=O)Oc1ccc(Cl)cc1
InChIInChI=1S/C10H14ClNO4S/c1-10(2,7-15-17(12,13)14)16-9-5-3-8(11)4-6-9/h3-6H,7H2,1-2H3,(H2,12,13,14)
InChIKeyZPDHDFBRUJYNRU-UHFFFAOYSA-N
MW279.75 g/mol
LogP1.72
Rot. Bonds5

About [2-(4-chlorophenoxy)-2-methylpropyl] sulfamate

[2-(4-chlorophenoxy)-2-methylpropyl] sulfamate (PubChem CID 19733457) has the molecular formula C10H14ClNO4S and a molecular weight of 279.75 g/mol. Its IUPAC name is [2-(4-chlorophenoxy)-2-methylpropyl] sulfamate.

Molecular Properties

Compound Name[2-(4-chlorophenoxy)-2-methylpropyl] sulfamate
PubChem CID19733457
Molecular FormulaC10H14ClNO4S
Molecular Weight279.75 g/mol
Exact Mass279.03
IUPAC Name[2-(4-chlorophenoxy)-2-methylpropyl] sulfamate
SMILESCC(C)(COS(N)(=O)=O)Oc1ccc(Cl)cc1
InChIInChI=1S/C10H14ClNO4S/c1-10(2,7-15-17(12,13)14)16-9-5-3-8(11)4-6-9/h3-6H,7H2,1-2H3,(H2,12,13,14)
InChIKeyZPDHDFBRUJYNRU-UHFFFAOYSA-N
XLogP1.72
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-(4-chlorophenoxy)phenoxy]-2-methylpropyl] methanesulfonate
CID 21318104
1-chloro-4-(2-methylbut-3-yn-2-yloxy)benzene
CID 13222886
1-chloro-4-(3-ethoxy-2-methylbut-3-en-2-yl)oxybenzene
CID 118144711
[1-(4-chlorophenoxy)-3-sulfamoyloxypropyl] sulfamate
CID 54018675
ethyl 2-(4-chlorophenoxy)-2-methylpropanoate;dihydrate
CID 70531737
ethyl 2-(4-chlorophenoxy)-2-methylpropanoate;hydroiodide
CID 175590665
(4-chlorophenyl) 2,2,2-trichloroethyl sulfate
CID 71375995
2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanamide
CID 3044350
4-[2-(4-chlorophenoxy)ethyl-methylamino]-3-methylsulfonylbenzenesulfonamide
CID 56578391
N-(2-amino-2-methylpropyl)-4-chlorobenzenesulfonamide;hydrochloride
CID 119988011
CID 131878857
CID 131878857
2-(4-chlorophenoxy)-2-methylpropanoate
CID 6918953

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenoxy)-2-methylpropyl] sulfamate?
The IUPAC name of [2-(4-chlorophenoxy)-2-methylpropyl] sulfamate (CID 19733457) is [2-(4-chlorophenoxy)-2-methylpropyl] sulfamate.
What is the SMILES notation for [2-(4-chlorophenoxy)-2-methylpropyl] sulfamate?
The canonical SMILES for [2-(4-chlorophenoxy)-2-methylpropyl] sulfamate is CC(C)(COS(N)(=O)=O)Oc1ccc(Cl)cc1.
What is the InChIKey of [2-(4-chlorophenoxy)-2-methylpropyl] sulfamate?
The InChIKey is ZPDHDFBRUJYNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO4S/c1-10(2,7-15-17(12,13)14)16-9-5-3-8(11)4-6-9/h3-6H,7H2,1-2H3,(H2,12,13,14).
What are the key properties of [2-(4-chlorophenoxy)-2-methylpropyl] sulfamate?
[2-(4-chlorophenoxy)-2-methylpropyl] sulfamate has a molecular weight of 279.75 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenoxy)-2-methylpropyl] sulfamate is sourced from PubChem (CID 19733457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).