2-(benzylsulfamoyl)-5-methylbenzoic acid

C15H15NO4S — CID 20506066

IUPAC2-(benzylsulfamoyl)-5-methylbenzoic acid
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C15H15NO4S/c1-11-7-8-14(13(9-11)15(17)18)21(19,20)16-10-12-5-3-2-4-6-12/h2-9,16H,10H2,1H3,(H,17,18)
InChIKeyYQQMQLJWILYRLE-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.17
Rot. Bonds5

About 2-(benzylsulfamoyl)-5-methylbenzoic acid

2-(benzylsulfamoyl)-5-methylbenzoic acid (PubChem CID 20506066) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-(benzylsulfamoyl)-5-methylbenzoic acid.

Molecular Properties

Compound Name2-(benzylsulfamoyl)-5-methylbenzoic acid
PubChem CID20506066
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name2-(benzylsulfamoyl)-5-methylbenzoic acid
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C15H15NO4S/c1-11-7-8-14(13(9-11)15(17)18)21(19,20)16-10-12-5-3-2-4-6-12/h2-9,16H,10H2,1H3,(H,17,18)
InChIKeyYQQMQLJWILYRLE-UHFFFAOYSA-N
XLogP2.17
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzylsulfamoyl)-5-methylbenzoic acid?
The IUPAC name of 2-(benzylsulfamoyl)-5-methylbenzoic acid (CID 20506066) is 2-(benzylsulfamoyl)-5-methylbenzoic acid.
What is the SMILES notation for 2-(benzylsulfamoyl)-5-methylbenzoic acid?
The canonical SMILES for 2-(benzylsulfamoyl)-5-methylbenzoic acid is Cc1ccc(S(=O)(=O)NCc2ccccc2)c(C(=O)O)c1.
What is the InChIKey of 2-(benzylsulfamoyl)-5-methylbenzoic acid?
The InChIKey is YQQMQLJWILYRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-11-7-8-14(13(9-11)15(17)18)21(19,20)16-10-12-5-3-2-4-6-12/h2-9,16H,10H2,1H3,(H,17,18).
What are the key properties of 2-(benzylsulfamoyl)-5-methylbenzoic acid?
2-(benzylsulfamoyl)-5-methylbenzoic acid has a molecular weight of 305.36 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylsulfamoyl)-5-methylbenzoic acid is sourced from PubChem (CID 20506066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).