propan-2-yl 2-sulfamoylbenzoate

C10H13NO4S — CID 26441

IUPACpropan-2-yl 2-sulfamoylbenzoate
SMILESCC(C)OC(=O)c1ccccc1S(N)(=O)=O
InChIInChI=1S/C10H13NO4S/c1-7(2)15-10(12)8-5-3-4-6-9(8)16(11,13)14/h3-7H,1-2H3,(H2,11,13,14)
InChIKeyUADGDKCDJALXDM-UHFFFAOYSA-N
MW243.28 g/mol
LogP0.90
Rot. Bonds3

About propan-2-yl 2-sulfamoylbenzoate

propan-2-yl 2-sulfamoylbenzoate (PubChem CID 26441) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is propan-2-yl 2-sulfamoylbenzoate.

Molecular Properties

Compound Namepropan-2-yl 2-sulfamoylbenzoate
PubChem CID26441
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Namepropan-2-yl 2-sulfamoylbenzoate
SMILESCC(C)OC(=O)c1ccccc1S(N)(=O)=O
InChIInChI=1S/C10H13NO4S/c1-7(2)15-10(12)8-5-3-4-6-9(8)16(11,13)14/h3-7H,1-2H3,(H2,11,13,14)
InChIKeyUADGDKCDJALXDM-UHFFFAOYSA-N
XLogP0.90
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-sulfamoylbenzoate?
The IUPAC name of propan-2-yl 2-sulfamoylbenzoate (CID 26441) is propan-2-yl 2-sulfamoylbenzoate.
What is the SMILES notation for propan-2-yl 2-sulfamoylbenzoate?
The canonical SMILES for propan-2-yl 2-sulfamoylbenzoate is CC(C)OC(=O)c1ccccc1S(N)(=O)=O.
What is the InChIKey of propan-2-yl 2-sulfamoylbenzoate?
The InChIKey is UADGDKCDJALXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-7(2)15-10(12)8-5-3-4-6-9(8)16(11,13)14/h3-7H,1-2H3,(H2,11,13,14).
What are the key properties of propan-2-yl 2-sulfamoylbenzoate?
propan-2-yl 2-sulfamoylbenzoate has a molecular weight of 243.28 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-sulfamoylbenzoate is sourced from PubChem (CID 26441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).