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

C12H18N2O5S — CID 106954584

IUPACpropan-2-yl N-[(4-hydroxy-2,5-dimethylphenyl)sulfamoyl]carbamate
SMILESCc1cc(NS(=O)(=O)NC(=O)OC(C)C)c(C)cc1O
InChIInChI=1S/C12H18N2O5S/c1-7(2)19-12(16)14-20(17,18)13-10-5-9(4)11(15)6-8(10)3/h5-7,13,15H,1-4H3,(H,14,16)
InChIKeyXCDZUZIOZQVEIX-UHFFFAOYSA-N
MW302.35 g/mol
LogP1.80
Rot. Bonds4

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

propan-2-yl N-[(4-hydroxy-2,5-dimethylphenyl)sulfamoyl]carbamate (PubChem CID 106954584) has the molecular formula C12H18N2O5S and a molecular weight of 302.35 g/mol. Its IUPAC name is propan-2-yl N-[(4-hydroxy-2,5-dimethylphenyl)sulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(4-hydroxy-2,5-dimethylphenyl)sulfamoyl]carbamate
PubChem CID106954584
Molecular FormulaC12H18N2O5S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC Namepropan-2-yl N-[(4-hydroxy-2,5-dimethylphenyl)sulfamoyl]carbamate
SMILESCc1cc(NS(=O)(=O)NC(=O)OC(C)C)c(C)cc1O
InChIInChI=1S/C12H18N2O5S/c1-7(2)19-12(16)14-20(17,18)13-10-5-9(4)11(15)6-8(10)3/h5-7,13,15H,1-4H3,(H,14,16)
InChIKeyXCDZUZIOZQVEIX-UHFFFAOYSA-N
XLogP1.80
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 51.80
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-amino-2,5-dimethylphenyl)sulfamoyl]carbamate
CID 103144752
ethyl N-[(4-hydroxy-2,5-dimethylphenyl)sulfamoyl]carbamate
CID 106954598
propan-2-yl N-[(3-hydroxy-4-methylphenyl)sulfamoyl]carbamate
CID 114463997
propan-2-yl N-[(2-hydroxy-5-methoxyphenyl)sulfamoyl]carbamate
CID 102696028
methyl 2-[(4-hydroxy-2,5-dimethylphenyl)sulfamoyl]propanoate
CID 106954607
propan-2-yl N-[(2-chloro-5-methyl-3-pyridinyl)sulfamoyl]carbamate
CID 114050687
propan-2-yl N-[(2-aminophenyl)sulfamoyl]carbamate
CID 114461496
1-hydroxy-2,5-dimethyl-4-(sulfamoylamino)benzene
CID 106954609
propan-2-yl N-[(5-amino-4-methyl-2-pyridinyl)sulfamoyl]carbamate
CID 114461679
propan-2-yl N-[[2-(bromomethyl)phenyl]sulfamoyl]carbamate
CID 114466730
propan-2-yl N-[(2-chloro-5-cyanophenyl)sulfamoyl]carbamate
CID 114463481
N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbutane-1-sulfonamide
CID 106831925

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(4-hydroxy-2,5-dimethylphenyl)sulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[(4-hydroxy-2,5-dimethylphenyl)sulfamoyl]carbamate (CID 106954584) is propan-2-yl N-[(4-hydroxy-2,5-dimethylphenyl)sulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[(4-hydroxy-2,5-dimethylphenyl)sulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[(4-hydroxy-2,5-dimethylphenyl)sulfamoyl]carbamate is Cc1cc(NS(=O)(=O)NC(=O)OC(C)C)c(C)cc1O.
What is the InChIKey of propan-2-yl N-[(4-hydroxy-2,5-dimethylphenyl)sulfamoyl]carbamate?
The InChIKey is XCDZUZIOZQVEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S/c1-7(2)19-12(16)14-20(17,18)13-10-5-9(4)11(15)6-8(10)3/h5-7,13,15H,1-4H3,(H,14,16).
What are the key properties of propan-2-yl N-[(4-hydroxy-2,5-dimethylphenyl)sulfamoyl]carbamate?
propan-2-yl N-[(4-hydroxy-2,5-dimethylphenyl)sulfamoyl]carbamate has a molecular weight of 302.35 g/mol, XLogP of 1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(4-hydroxy-2,5-dimethylphenyl)sulfamoyl]carbamate is sourced from PubChem (CID 106954584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).