2-methyl-5-(propan-2-ylsulfamoyl)benzoic acid

C11H15NO4S — CID 977985

IUPAC2-methyl-5-(propan-2-ylsulfamoyl)benzoic acid
SMILESCc1ccc(S(=O)(=O)NC(C)C)cc1C(=O)O
InChIInChI=1S/C11H15NO4S/c1-7(2)12-17(15,16)9-5-4-8(3)10(6-9)11(13)14/h4-7,12H,1-3H3,(H,13,14)
InChIKeyRQIUXSOALNIUDT-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.38
Rot. Bonds4

About 2-methyl-5-(propan-2-ylsulfamoyl)benzoic acid

2-methyl-5-(propan-2-ylsulfamoyl)benzoic acid (PubChem CID 977985) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-methyl-5-(propan-2-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-methyl-5-(propan-2-ylsulfamoyl)benzoic acid
PubChem CID977985
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name2-methyl-5-(propan-2-ylsulfamoyl)benzoic acid
SMILESCc1ccc(S(=O)(=O)NC(C)C)cc1C(=O)O
InChIInChI=1S/C11H15NO4S/c1-7(2)12-17(15,16)9-5-4-8(3)10(6-9)11(13)14/h4-7,12H,1-3H3,(H,13,14)
InChIKeyRQIUXSOALNIUDT-UHFFFAOYSA-N
XLogP1.38
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(propan-2-ylsulfamoyl)benzoic acid?
The IUPAC name of 2-methyl-5-(propan-2-ylsulfamoyl)benzoic acid (CID 977985) is 2-methyl-5-(propan-2-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-methyl-5-(propan-2-ylsulfamoyl)benzoic acid?
The canonical SMILES for 2-methyl-5-(propan-2-ylsulfamoyl)benzoic acid is Cc1ccc(S(=O)(=O)NC(C)C)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-(propan-2-ylsulfamoyl)benzoic acid?
The InChIKey is RQIUXSOALNIUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-7(2)12-17(15,16)9-5-4-8(3)10(6-9)11(13)14/h4-7,12H,1-3H3,(H,13,14).
What are the key properties of 2-methyl-5-(propan-2-ylsulfamoyl)benzoic acid?
2-methyl-5-(propan-2-ylsulfamoyl)benzoic acid has a molecular weight of 257.31 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(propan-2-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 977985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).