propan-2-yl 4-amino-2-sulfamoylbenzoate

C10H14N2O4S — CID 9446

IUPACpropan-2-yl 4-amino-2-sulfamoylbenzoate
SMILESCC(C)OC(=O)c1ccc(N)cc1S(N)(=O)=O
InChIInChI=1S/C10H14N2O4S/c1-6(2)16-10(13)8-4-3-7(11)5-9(8)17(12,14)15/h3-6H,11H2,1-2H3,(H2,12,14,15)
InChIKeyRMKBZZLNLVFLRF-UHFFFAOYSA-N
MW258.30 g/mol
LogP0.48
Rot. Bonds3

About propan-2-yl 4-amino-2-sulfamoylbenzoate

propan-2-yl 4-amino-2-sulfamoylbenzoate (PubChem CID 9446) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is propan-2-yl 4-amino-2-sulfamoylbenzoate.

Molecular Properties

Compound Namepropan-2-yl 4-amino-2-sulfamoylbenzoate
PubChem CID9446
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Namepropan-2-yl 4-amino-2-sulfamoylbenzoate
SMILESCC(C)OC(=O)c1ccc(N)cc1S(N)(=O)=O
InChIInChI=1S/C10H14N2O4S/c1-6(2)16-10(13)8-4-3-7(11)5-9(8)17(12,14)15/h3-6H,11H2,1-2H3,(H2,12,14,15)
InChIKeyRMKBZZLNLVFLRF-UHFFFAOYSA-N
XLogP0.48
TPSA112.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-amino-2-sulfamoylbenzoate?
The IUPAC name of propan-2-yl 4-amino-2-sulfamoylbenzoate (CID 9446) is propan-2-yl 4-amino-2-sulfamoylbenzoate.
What is the SMILES notation for propan-2-yl 4-amino-2-sulfamoylbenzoate?
The canonical SMILES for propan-2-yl 4-amino-2-sulfamoylbenzoate is CC(C)OC(=O)c1ccc(N)cc1S(N)(=O)=O.
What is the InChIKey of propan-2-yl 4-amino-2-sulfamoylbenzoate?
The InChIKey is RMKBZZLNLVFLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-6(2)16-10(13)8-4-3-7(11)5-9(8)17(12,14)15/h3-6H,11H2,1-2H3,(H2,12,14,15).
What are the key properties of propan-2-yl 4-amino-2-sulfamoylbenzoate?
propan-2-yl 4-amino-2-sulfamoylbenzoate has a molecular weight of 258.30 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-amino-2-sulfamoylbenzoate is sourced from PubChem (CID 9446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).