methyl N-[(2,6-diethylphenyl)sulfamoyl]carbamate

C12H18N2O4S — CID 110193344

IUPACmethyl N-[(2,6-diethylphenyl)sulfamoyl]carbamate
SMILESCCc1cccc(CC)c1NS(=O)(=O)NC(=O)OC
InChIInChI=1S/C12H18N2O4S/c1-4-9-7-6-8-10(5-2)11(9)13-19(16,17)14-12(15)18-3/h6-8,13H,4-5H2,1-3H3,(H,14,15)
InChIKeyWGHQPBYKIXLFRH-UHFFFAOYSA-N
MW286.35 g/mol
LogP1.82
Rot. Bonds5

About methyl N-[(2,6-diethylphenyl)sulfamoyl]carbamate

methyl N-[(2,6-diethylphenyl)sulfamoyl]carbamate (PubChem CID 110193344) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is methyl N-[(2,6-diethylphenyl)sulfamoyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2,6-diethylphenyl)sulfamoyl]carbamate
PubChem CID110193344
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Namemethyl N-[(2,6-diethylphenyl)sulfamoyl]carbamate
SMILESCCc1cccc(CC)c1NS(=O)(=O)NC(=O)OC
InChIInChI=1S/C12H18N2O4S/c1-4-9-7-6-8-10(5-2)11(9)13-19(16,17)14-12(15)18-3/h6-8,13H,4-5H2,1-3H3,(H,14,15)
InChIKeyWGHQPBYKIXLFRH-UHFFFAOYSA-N
XLogP1.82
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[(2-methyl-3-sulfamoylphenyl)sulfamoyl]carbamate
CID 114465998
3-[(2,6-diethylphenyl)sulfamoyl]propanoic acid
CID 28514287
N-[4-[(2,6-diethylphenyl)sulfamoyl]phenyl]acetamide
CID 2725688
methyl 5-bromo-2-[(2,6-diethylphenyl)sulfamoyl]benzoate
CID 112769236
methyl N-[(2,6-dichloro-4-sulfamoylphenyl)sulfamoyl]carbamate
CID 114466073
butyl N-(2,6-diethylphenyl)carbamate
CID 19174090
(propan-2-ylideneamino) N-(2,6-diethylphenyl)carbamate
CID 4689437
5-hydroxy-2-(methoxycarbonylsulfamoylamino)benzoic acid
CID 114462428
N-(2,6-diethylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 112808737
3-amino-N-(2,6-diethylphenyl)propane-1-sulfonamide
CID 54944840
3,4-dichloro-N-(2,6-diethylphenyl)-2-methoxybenzenesulfonamide
CID 139014537
propan-2-yl N-[[2-(bromomethyl)phenyl]sulfamoyl]carbamate
CID 114466730

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2,6-diethylphenyl)sulfamoyl]carbamate?
The IUPAC name of methyl N-[(2,6-diethylphenyl)sulfamoyl]carbamate (CID 110193344) is methyl N-[(2,6-diethylphenyl)sulfamoyl]carbamate.
What is the SMILES notation for methyl N-[(2,6-diethylphenyl)sulfamoyl]carbamate?
The canonical SMILES for methyl N-[(2,6-diethylphenyl)sulfamoyl]carbamate is CCc1cccc(CC)c1NS(=O)(=O)NC(=O)OC.
What is the InChIKey of methyl N-[(2,6-diethylphenyl)sulfamoyl]carbamate?
The InChIKey is WGHQPBYKIXLFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-4-9-7-6-8-10(5-2)11(9)13-19(16,17)14-12(15)18-3/h6-8,13H,4-5H2,1-3H3,(H,14,15).
What are the key properties of methyl N-[(2,6-diethylphenyl)sulfamoyl]carbamate?
methyl N-[(2,6-diethylphenyl)sulfamoyl]carbamate has a molecular weight of 286.35 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2,6-diethylphenyl)sulfamoyl]carbamate is sourced from PubChem (CID 110193344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).