5-[di(propan-2-yl)sulfamoyl]-2,4-dimethylbenzoic acid

C15H23NO4S — CID 20506041

IUPAC5-[di(propan-2-yl)sulfamoyl]-2,4-dimethylbenzoic acid
SMILESCc1cc(C)c(S(=O)(=O)N(C(C)C)C(C)C)cc1C(=O)O
InChIInChI=1S/C15H23NO4S/c1-9(2)16(10(3)4)21(19,20)14-8-13(15(17)18)11(5)7-12(14)6/h7-10H,1-6H3,(H,17,18)
InChIKeyUTKQVMQCGPTHMY-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.81
Rot. Bonds5

About 5-[di(propan-2-yl)sulfamoyl]-2,4-dimethylbenzoic acid

5-[di(propan-2-yl)sulfamoyl]-2,4-dimethylbenzoic acid (PubChem CID 20506041) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 5-[di(propan-2-yl)sulfamoyl]-2,4-dimethylbenzoic acid.

Molecular Properties

Compound Name5-[di(propan-2-yl)sulfamoyl]-2,4-dimethylbenzoic acid
PubChem CID20506041
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name5-[di(propan-2-yl)sulfamoyl]-2,4-dimethylbenzoic acid
SMILESCc1cc(C)c(S(=O)(=O)N(C(C)C)C(C)C)cc1C(=O)O
InChIInChI=1S/C15H23NO4S/c1-9(2)16(10(3)4)21(19,20)14-8-13(15(17)18)11(5)7-12(14)6/h7-10H,1-6H3,(H,17,18)
InChIKeyUTKQVMQCGPTHMY-UHFFFAOYSA-N
XLogP2.81
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[di(propan-2-yl)sulfamoyl]-2,4-dimethylbenzoic acid?
The IUPAC name of 5-[di(propan-2-yl)sulfamoyl]-2,4-dimethylbenzoic acid (CID 20506041) is 5-[di(propan-2-yl)sulfamoyl]-2,4-dimethylbenzoic acid.
What is the SMILES notation for 5-[di(propan-2-yl)sulfamoyl]-2,4-dimethylbenzoic acid?
The canonical SMILES for 5-[di(propan-2-yl)sulfamoyl]-2,4-dimethylbenzoic acid is Cc1cc(C)c(S(=O)(=O)N(C(C)C)C(C)C)cc1C(=O)O.
What is the InChIKey of 5-[di(propan-2-yl)sulfamoyl]-2,4-dimethylbenzoic acid?
The InChIKey is UTKQVMQCGPTHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-9(2)16(10(3)4)21(19,20)14-8-13(15(17)18)11(5)7-12(14)6/h7-10H,1-6H3,(H,17,18).
What are the key properties of 5-[di(propan-2-yl)sulfamoyl]-2,4-dimethylbenzoic acid?
5-[di(propan-2-yl)sulfamoyl]-2,4-dimethylbenzoic acid has a molecular weight of 313.42 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[di(propan-2-yl)sulfamoyl]-2,4-dimethylbenzoic acid is sourced from PubChem (CID 20506041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).