propan-2-yl N-[(3-hydroxy-4-methylphenyl)sulfamoyl]carbamate

C11H16N2O5S — CID 114463997

IUPACpropan-2-yl N-[(3-hydroxy-4-methylphenyl)sulfamoyl]carbamate
SMILESCc1ccc(NS(=O)(=O)NC(=O)OC(C)C)cc1O
InChIInChI=1S/C11H16N2O5S/c1-7(2)18-11(15)13-19(16,17)12-9-5-4-8(3)10(14)6-9/h4-7,12,14H,1-3H3,(H,13,15)
InChIKeyGMAKUQMLVADEPX-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.49
Rot. Bonds4

About propan-2-yl N-[(3-hydroxy-4-methylphenyl)sulfamoyl]carbamate

propan-2-yl N-[(3-hydroxy-4-methylphenyl)sulfamoyl]carbamate (PubChem CID 114463997) has the molecular formula C11H16N2O5S and a molecular weight of 288.33 g/mol. Its IUPAC name is propan-2-yl N-[(3-hydroxy-4-methylphenyl)sulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(3-hydroxy-4-methylphenyl)sulfamoyl]carbamate
PubChem CID114463997
Molecular FormulaC11H16N2O5S
Molecular Weight288.33 g/mol
Exact Mass288.08
IUPAC Namepropan-2-yl N-[(3-hydroxy-4-methylphenyl)sulfamoyl]carbamate
SMILESCc1ccc(NS(=O)(=O)NC(=O)OC(C)C)cc1O
InChIInChI=1S/C11H16N2O5S/c1-7(2)18-11(15)13-19(16,17)12-9-5-4-8(3)10(14)6-9/h4-7,12,14H,1-3H3,(H,13,15)
InChIKeyGMAKUQMLVADEPX-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze propan-2-yl N-[(3-hydroxy-4-methylphenyl)sulfamoyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propan-2-yl N-[(4-hydroxy-2,5-dimethylphenyl)sulfamoyl]carbamate
CID 106954584
4-(propan-2-yloxycarbonylsulfamoylamino)benzoic acid
CID 114461975
propan-2-yl N-[[4-(chloromethyl)phenyl]sulfamoyl]carbamate
CID 114466358
methyl 3-(propan-2-yloxycarbonylsulfamoylamino)benzoate
CID 114465381
propan-2-yl N-[(6-bromo-3-pyridinyl)sulfamoyl]carbamate
CID 114051889
propan-2-yl N-[(2-hydroxy-5-methoxyphenyl)sulfamoyl]carbamate
CID 102696028
propan-2-yl N-[(4-amino-2,5-dimethylphenyl)sulfamoyl]carbamate
CID 103144752
propan-2-yl N-[(3-carbamimidoylphenyl)sulfamoyl]carbamate
CID 114467292
propan-2-yl N-[(5-amino-4-methyl-2-pyridinyl)sulfamoyl]carbamate
CID 114461679
propan-2-yl N-[(2-aminophenyl)sulfamoyl]carbamate
CID 114461496
4-methyl-3-(propan-2-yloxycarbonylsulfamoylamino)thiophene-2-carboxylic acid
CID 114915175
propan-2-yl N-[(2-chloro-5-methyl-3-pyridinyl)sulfamoyl]carbamate
CID 114050687

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(3-hydroxy-4-methylphenyl)sulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[(3-hydroxy-4-methylphenyl)sulfamoyl]carbamate (CID 114463997) is propan-2-yl N-[(3-hydroxy-4-methylphenyl)sulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[(3-hydroxy-4-methylphenyl)sulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[(3-hydroxy-4-methylphenyl)sulfamoyl]carbamate is Cc1ccc(NS(=O)(=O)NC(=O)OC(C)C)cc1O.
What is the InChIKey of propan-2-yl N-[(3-hydroxy-4-methylphenyl)sulfamoyl]carbamate?
The InChIKey is GMAKUQMLVADEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-7(2)18-11(15)13-19(16,17)12-9-5-4-8(3)10(14)6-9/h4-7,12,14H,1-3H3,(H,13,15).
What are the key properties of propan-2-yl N-[(3-hydroxy-4-methylphenyl)sulfamoyl]carbamate?
propan-2-yl N-[(3-hydroxy-4-methylphenyl)sulfamoyl]carbamate has a molecular weight of 288.33 g/mol, XLogP of 1.49, 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-[(3-hydroxy-4-methylphenyl)sulfamoyl]carbamate is sourced from PubChem (CID 114463997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).