(2,4,6-trimethylphenyl) sulfamate

C9H13NO3S — CID 23161078

IUPAC(2,4,6-trimethylphenyl) sulfamate
SMILESCc1cc(C)c(OS(N)(=O)=O)c(C)c1
InChIInChI=1S/C9H13NO3S/c1-6-4-7(2)9(8(3)5-6)13-14(10,11)12/h4-5H,1-3H3,(H2,10,11,12)
InChIKeyZDPLHRIUHBMUMZ-UHFFFAOYSA-N
MW215.27 g/mol
LogP1.19
Rot. Bonds2

About (2,4,6-trimethylphenyl) sulfamate

(2,4,6-trimethylphenyl) sulfamate (PubChem CID 23161078) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is (2,4,6-trimethylphenyl) sulfamate.

Molecular Properties

Compound Name(2,4,6-trimethylphenyl) sulfamate
PubChem CID23161078
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name(2,4,6-trimethylphenyl) sulfamate
SMILESCc1cc(C)c(OS(N)(=O)=O)c(C)c1
InChIInChI=1S/C9H13NO3S/c1-6-4-7(2)9(8(3)5-6)13-14(10,11)12/h4-5H,1-3H3,(H2,10,11,12)
InChIKeyZDPLHRIUHBMUMZ-UHFFFAOYSA-N
XLogP1.19
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(difluoromethoxy)-3,5-dimethylbenzenesulfonamide
CID 165474374
(2,4,6-trimethylphenyl) 2,6-difluorobenzenesulfonate
CID 30325883
(7-hydroxy-5,8-dimethylnaphthalen-2-yl) sulfamate
CID 91041294
amino 2,4,6-trimethylbenzenesulfonate
CID 11830845
2-[(Z)-2,3-dichloroprop-2-enoxy]-3,5-dimethylbenzenesulfonamide
CID 82915155
(4-bromo-2,6-dimethylphenyl) methanesulfonate
CID 88867193
(2,4,6-trimethylphenyl) 1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonate
CID 7475329
ethane;2-methoxy-1,3,5-trimethylbenzene
CID 142174927
oxo-bis(2,4,6-trimethylphenoxy)phosphanium
CID 57186315
3,5-dimethyl-4-(2,4,6-trimethylphenoxy)aniline
CID 167658948
2-acetyloxy-3,5-dimethylbenzoic acid
CID 50883231
3,5-dimethyl-2-(3-methylsulfonylpropoxy)aniline
CID 63191136

Frequently Asked Questions

What is the IUPAC name of (2,4,6-trimethylphenyl) sulfamate?
The IUPAC name of (2,4,6-trimethylphenyl) sulfamate (CID 23161078) is (2,4,6-trimethylphenyl) sulfamate.
What is the SMILES notation for (2,4,6-trimethylphenyl) sulfamate?
The canonical SMILES for (2,4,6-trimethylphenyl) sulfamate is Cc1cc(C)c(OS(N)(=O)=O)c(C)c1.
What is the InChIKey of (2,4,6-trimethylphenyl) sulfamate?
The InChIKey is ZDPLHRIUHBMUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-6-4-7(2)9(8(3)5-6)13-14(10,11)12/h4-5H,1-3H3,(H2,10,11,12).
What are the key properties of (2,4,6-trimethylphenyl) sulfamate?
(2,4,6-trimethylphenyl) sulfamate has a molecular weight of 215.27 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,6-trimethylphenyl) sulfamate is sourced from PubChem (CID 23161078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).