(2,5-dimethoxyphenyl) sulfamate

C8H11NO5S — CID 56992916

IUPAC(2,5-dimethoxyphenyl) sulfamate
SMILESCOc1ccc(OC)c(OS(N)(=O)=O)c1
InChIInChI=1S/C8H11NO5S/c1-12-6-3-4-7(13-2)8(5-6)14-15(9,10)11/h3-5H,1-2H3,(H2,9,10,11)
InChIKeyNEYICKVAZCFLLF-UHFFFAOYSA-N
MW233.24 g/mol
LogP0.29
Rot. Bonds4

About (2,5-dimethoxyphenyl) sulfamate

(2,5-dimethoxyphenyl) sulfamate (PubChem CID 56992916) has the molecular formula C8H11NO5S and a molecular weight of 233.24 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl) sulfamate.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl) sulfamate
PubChem CID56992916
Molecular FormulaC8H11NO5S
Molecular Weight233.24 g/mol
Exact Mass233.04
IUPAC Name(2,5-dimethoxyphenyl) sulfamate
SMILESCOc1ccc(OC)c(OS(N)(=O)=O)c1
InChIInChI=1S/C8H11NO5S/c1-12-6-3-4-7(13-2)8(5-6)14-15(9,10)11/h3-5H,1-2H3,(H2,9,10,11)
InChIKeyNEYICKVAZCFLLF-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

Analyze (2,5-dimethoxyphenyl) sulfamate 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

O-(2,5-dimethoxyphenyl)hydroxylamine
CID 117273124
2,4-dimethoxyaniline;sulfuric acid
CID 160678823
2-(3,4-dimethoxyphenoxy)-4-methoxyaniline
CID 123638335
2-(2,5-dimethoxyphenyl)guanidine;methanesulfonic acid
CID 72716226
[2-[(2,5-dimethoxyphenyl)methyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-yl] sulfamate
CID 73212908
1,4-dimethoxy-2-(3-methoxyphenoxy)benzene
CID 95561214
1,2-dimethoxy-4-(5-methoxy-2-methylphenoxy)benzene
CID 123959246
1,2,3,5-tetramethoxybenzene;1,2,4-trimethoxybenzene
CID 54271001
3-(2,4-dimethoxyphenyl)propane-1-sulfonamide
CID 175051954
1-(2,5-dimethoxyphenyl)-2,2,2-trifluoroethanesulfonamide
CID 114827630
(2,6-dimethoxyphenyl) sulfamate
CID 86254316
2-(2,4-dimethoxyphenyl)prop-2-enamide
CID 174817497

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl) sulfamate?
The IUPAC name of (2,5-dimethoxyphenyl) sulfamate (CID 56992916) is (2,5-dimethoxyphenyl) sulfamate.
What is the SMILES notation for (2,5-dimethoxyphenyl) sulfamate?
The canonical SMILES for (2,5-dimethoxyphenyl) sulfamate is COc1ccc(OC)c(OS(N)(=O)=O)c1.
What is the InChIKey of (2,5-dimethoxyphenyl) sulfamate?
The InChIKey is NEYICKVAZCFLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO5S/c1-12-6-3-4-7(13-2)8(5-6)14-15(9,10)11/h3-5H,1-2H3,(H2,9,10,11).
What are the key properties of (2,5-dimethoxyphenyl) sulfamate?
(2,5-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 (2,5-dimethoxyphenyl) sulfamate is sourced from PubChem (CID 56992916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).