(2,6-dimethoxyphenyl) sulfamate

C8H11NO5S — CID 86254316

IUPAC(2,6-dimethoxyphenyl) sulfamate
SMILESCOc1cccc(OC)c1OS(N)(=O)=O
InChIInChI=1S/C8H11NO5S/c1-12-6-4-3-5-7(13-2)8(6)14-15(9,10)11/h3-5H,1-2H3,(H2,9,10,11)
InChIKeyRVZDSPAUIVBITB-UHFFFAOYSA-N
MW233.24 g/mol
LogP0.29
Rot. Bonds4

About (2,6-dimethoxyphenyl) sulfamate

(2,6-dimethoxyphenyl) sulfamate (PubChem CID 86254316) has the molecular formula C8H11NO5S and a molecular weight of 233.24 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl) sulfamate.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl) sulfamate
PubChem CID86254316
Molecular FormulaC8H11NO5S
Molecular Weight233.24 g/mol
Exact Mass233.04
IUPAC Name(2,6-dimethoxyphenyl) sulfamate
SMILESCOc1cccc(OC)c1OS(N)(=O)=O
InChIInChI=1S/C8H11NO5S/c1-12-6-4-3-5-7(13-2)8(6)14-15(9,10)11/h3-5H,1-2H3,(H2,9,10,11)
InChIKeyRVZDSPAUIVBITB-UHFFFAOYSA-N
XLogP0.29
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2,6-dimethoxyphenyl) N,N-dimethylsulfamate
CID 177459902
2,3-dimethoxybenzenesulfonamide;hydrochloride
CID 142896136
naphthalen-1-yl sulfamate
CID 25056076
1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666
(2,3-dimethoxyphenyl) trifluoromethanesulfonate
CID 22096593
[3-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl] sulfamate
CID 137451062
[2,3-bis(methylsulfonyloxy)phenyl] methanesulfonate
CID 159669792
2-fluoro-3-methoxybenzenesulfonamide
CID 82811316
(2,5-dimethoxyphenyl) sulfamate
CID 56992916
2,3-dimethoxybenzamide;hydrate
CID 141005510
1,2-dimethoxy-3-[2-(sulfamoylamino)ethyl]benzene
CID 71659103
(2,3-dimethoxyphenyl)methanesulfonic acid
CID 174487670

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl) sulfamate?
The IUPAC name of (2,6-dimethoxyphenyl) sulfamate (CID 86254316) is (2,6-dimethoxyphenyl) sulfamate.
What is the SMILES notation for (2,6-dimethoxyphenyl) sulfamate?
The canonical SMILES for (2,6-dimethoxyphenyl) sulfamate is COc1cccc(OC)c1OS(N)(=O)=O.
What is the InChIKey of (2,6-dimethoxyphenyl) sulfamate?
The InChIKey is RVZDSPAUIVBITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO5S/c1-12-6-4-3-5-7(13-2)8(6)14-15(9,10)11/h3-5H,1-2H3,(H2,9,10,11).
What are the key properties of (2,6-dimethoxyphenyl) sulfamate?
(2,6-dimethoxyphenyl) sulfamate has a molecular weight of 233.24 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl) sulfamate is sourced from PubChem (CID 86254316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).