ethyl N-[(4-hydroxy-2,5-dimethylphenyl)sulfamoyl]carbamate

C11H16N2O5S — CID 106954598

IUPACethyl N-[(4-hydroxy-2,5-dimethylphenyl)sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)Nc1cc(C)c(O)cc1C
InChIInChI=1S/C11H16N2O5S/c1-4-18-11(15)13-19(16,17)12-9-5-8(3)10(14)6-7(9)2/h5-6,12,14H,4H2,1-3H3,(H,13,15)
InChIKeyHZICNOQOVMUJIB-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.41
Rot. Bonds4

About ethyl N-[(4-hydroxy-2,5-dimethylphenyl)sulfamoyl]carbamate

ethyl N-[(4-hydroxy-2,5-dimethylphenyl)sulfamoyl]carbamate (PubChem CID 106954598) has the molecular formula C11H16N2O5S and a molecular weight of 288.33 g/mol. Its IUPAC name is ethyl N-[(4-hydroxy-2,5-dimethylphenyl)sulfamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(4-hydroxy-2,5-dimethylphenyl)sulfamoyl]carbamate
PubChem CID106954598
Molecular FormulaC11H16N2O5S
Molecular Weight288.33 g/mol
Exact Mass288.08
IUPAC Nameethyl N-[(4-hydroxy-2,5-dimethylphenyl)sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)Nc1cc(C)c(O)cc1C
InChIInChI=1S/C11H16N2O5S/c1-4-18-11(15)13-19(16,17)12-9-5-8(3)10(14)6-7(9)2/h5-6,12,14H,4H2,1-3H3,(H,13,15)
InChIKeyHZICNOQOVMUJIB-UHFFFAOYSA-N
XLogP1.41
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl N-[(4-hydroxy-2,5-dimethylphenyl)sulfamoyl]carbamate
CID 106954584
ethyl N-[[5-(aminomethyl)-2-methylphenyl]sulfamoyl]carbamate
CID 114461371
3-(ethoxycarbonylsulfamoylamino)-4-hydroxybenzoic acid
CID 107264892
1-hydroxy-2,5-dimethyl-4-(sulfamoylamino)benzene
CID 106954609
methyl 2-[(4-hydroxy-2,5-dimethylphenyl)sulfamoyl]propanoate
CID 106954607
ethyl N-[(2-bromo-5-methoxyphenyl)sulfamoyl]carbamate
CID 114463849
propan-2-yl N-[(4-amino-2,5-dimethylphenyl)sulfamoyl]carbamate
CID 103144752
ethyl N-[(2-amino-6-bromo-4-methylphenyl)sulfamoyl]carbamate
CID 114461807
ethyl N-[(3-bromo-2-methylphenyl)sulfamoyl]carbamate
CID 107640756
ethyl 2-(ethoxycarbonylsulfamoylamino)-5-methylthiophene-3-carboxylate
CID 114465520
ethyl N-[(3-bromo-4-pyridinyl)sulfamoyl]carbamate
CID 114463883
ethyl N-[[2-[1-(ethylamino)ethyl]phenyl]sulfamoyl]carbamate
CID 114463183

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(4-hydroxy-2,5-dimethylphenyl)sulfamoyl]carbamate?
The IUPAC name of ethyl N-[(4-hydroxy-2,5-dimethylphenyl)sulfamoyl]carbamate (CID 106954598) is ethyl N-[(4-hydroxy-2,5-dimethylphenyl)sulfamoyl]carbamate.
What is the SMILES notation for ethyl N-[(4-hydroxy-2,5-dimethylphenyl)sulfamoyl]carbamate?
The canonical SMILES for ethyl N-[(4-hydroxy-2,5-dimethylphenyl)sulfamoyl]carbamate is CCOC(=O)NS(=O)(=O)Nc1cc(C)c(O)cc1C.
What is the InChIKey of ethyl N-[(4-hydroxy-2,5-dimethylphenyl)sulfamoyl]carbamate?
The InChIKey is HZICNOQOVMUJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-4-18-11(15)13-19(16,17)12-9-5-8(3)10(14)6-7(9)2/h5-6,12,14H,4H2,1-3H3,(H,13,15).
What are the key properties of ethyl N-[(4-hydroxy-2,5-dimethylphenyl)sulfamoyl]carbamate?
ethyl N-[(4-hydroxy-2,5-dimethylphenyl)sulfamoyl]carbamate has a molecular weight of 288.33 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(4-hydroxy-2,5-dimethylphenyl)sulfamoyl]carbamate is sourced from PubChem (CID 106954598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).