propan-2-yl N-[(2-hydroxy-5-methoxyphenyl)sulfamoyl]carbamate

C11H16N2O6S — CID 102696028

IUPACpropan-2-yl N-[(2-hydroxy-5-methoxyphenyl)sulfamoyl]carbamate
SMILESCOc1ccc(O)c(NS(=O)(=O)NC(=O)OC(C)C)c1
InChIInChI=1S/C11H16N2O6S/c1-7(2)19-11(15)13-20(16,17)12-9-6-8(18-3)4-5-10(9)14/h4-7,12,14H,1-3H3,(H,13,15)
InChIKeyJQUNDFADZLSWPN-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.19
Rot. Bonds5

About propan-2-yl N-[(2-hydroxy-5-methoxyphenyl)sulfamoyl]carbamate

propan-2-yl N-[(2-hydroxy-5-methoxyphenyl)sulfamoyl]carbamate (PubChem CID 102696028) has the molecular formula C11H16N2O6S and a molecular weight of 304.32 g/mol. Its IUPAC name is propan-2-yl N-[(2-hydroxy-5-methoxyphenyl)sulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(2-hydroxy-5-methoxyphenyl)sulfamoyl]carbamate
PubChem CID102696028
Molecular FormulaC11H16N2O6S
Molecular Weight304.32 g/mol
Exact Mass304.07
IUPAC Namepropan-2-yl N-[(2-hydroxy-5-methoxyphenyl)sulfamoyl]carbamate
SMILESCOc1ccc(O)c(NS(=O)(=O)NC(=O)OC(C)C)c1
InChIInChI=1S/C11H16N2O6S/c1-7(2)19-11(15)13-20(16,17)12-9-6-8(18-3)4-5-10(9)14/h4-7,12,14H,1-3H3,(H,13,15)
InChIKeyJQUNDFADZLSWPN-UHFFFAOYSA-N
XLogP1.19
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl N-[(4-hydroxy-2,5-dimethylphenyl)sulfamoyl]carbamate
CID 106954584
N-(2-hydroxy-5-methoxyphenyl)-2-methylpropane-1-sulfonamide
CID 113256472
propan-2-yl N-[(3-hydroxy-4-methylphenyl)sulfamoyl]carbamate
CID 114463997
propan-2-yl N-[(2-aminophenyl)sulfamoyl]carbamate
CID 114461496
methyl N-[(5-ethyl-2-hydroxyphenyl)sulfamoyl]carbamate
CID 114464024
N-(2-hydroxy-5-methoxyphenyl)pyrrolidine-1-sulfonamide
CID 103760192
methyl 3-(propan-2-yloxycarbonylsulfamoylamino)benzoate
CID 114465381
propan-2-yl N-[[2-(bromomethyl)phenyl]sulfamoyl]carbamate
CID 114466730
propan-2-yl N-[(4-amino-2,5-dimethylphenyl)sulfamoyl]carbamate
CID 103144752
ethyl N-[(2-bromo-5-methoxyphenyl)sulfamoyl]carbamate
CID 114463849
propan-2-yl 2-hydroxy-5-methoxybenzoate
CID 60731005
propan-2-yl N-(4-methoxy-2-methylphenyl)carbamate
CID 116655687

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(2-hydroxy-5-methoxyphenyl)sulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[(2-hydroxy-5-methoxyphenyl)sulfamoyl]carbamate (CID 102696028) is propan-2-yl N-[(2-hydroxy-5-methoxyphenyl)sulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[(2-hydroxy-5-methoxyphenyl)sulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[(2-hydroxy-5-methoxyphenyl)sulfamoyl]carbamate is COc1ccc(O)c(NS(=O)(=O)NC(=O)OC(C)C)c1.
What is the InChIKey of propan-2-yl N-[(2-hydroxy-5-methoxyphenyl)sulfamoyl]carbamate?
The InChIKey is JQUNDFADZLSWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O6S/c1-7(2)19-11(15)13-20(16,17)12-9-6-8(18-3)4-5-10(9)14/h4-7,12,14H,1-3H3,(H,13,15).
What are the key properties of propan-2-yl N-[(2-hydroxy-5-methoxyphenyl)sulfamoyl]carbamate?
propan-2-yl N-[(2-hydroxy-5-methoxyphenyl)sulfamoyl]carbamate has a molecular weight of 304.32 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(2-hydroxy-5-methoxyphenyl)sulfamoyl]carbamate is sourced from PubChem (CID 102696028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).