2-(propylsulfamoyl)benzoic acid

C10H13NO4S — CID 21497848

IUPAC2-(propylsulfamoyl)benzoic acid
SMILESCCCNS(=O)(=O)c1ccccc1C(=O)O
InChIInChI=1S/C10H13NO4S/c1-2-7-11-16(14,15)9-6-4-3-5-8(9)10(12)13/h3-6,11H,2,7H2,1H3,(H,12,13)
InChIKeyJVQOSYRZNGRILD-UHFFFAOYSA-N
MW243.28 g/mol
LogP1.07
Rot. Bonds5

About 2-(propylsulfamoyl)benzoic acid

2-(propylsulfamoyl)benzoic acid (PubChem CID 21497848) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 2-(propylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-(propylsulfamoyl)benzoic acid
PubChem CID21497848
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name2-(propylsulfamoyl)benzoic acid
SMILESCCCNS(=O)(=O)c1ccccc1C(=O)O
InChIInChI=1S/C10H13NO4S/c1-2-7-11-16(14,15)9-6-4-3-5-8(9)10(12)13/h3-6,11H,2,7H2,1H3,(H,12,13)
InChIKeyJVQOSYRZNGRILD-UHFFFAOYSA-N
XLogP1.07
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(propylsulfamoyl)benzoic acid?
The IUPAC name of 2-(propylsulfamoyl)benzoic acid (CID 21497848) is 2-(propylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-(propylsulfamoyl)benzoic acid?
The canonical SMILES for 2-(propylsulfamoyl)benzoic acid is CCCNS(=O)(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-(propylsulfamoyl)benzoic acid?
The InChIKey is JVQOSYRZNGRILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-2-7-11-16(14,15)9-6-4-3-5-8(9)10(12)13/h3-6,11H,2,7H2,1H3,(H,12,13).
What are the key properties of 2-(propylsulfamoyl)benzoic acid?
2-(propylsulfamoyl)benzoic acid has a molecular weight of 243.28 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylsulfamoyl)benzoic acid is sourced from PubChem (CID 21497848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).