3-(dipropylsulfamoyl)-2-methylbenzoic acid

C14H21NO4S — CID 63742799

IUPAC3-(dipropylsulfamoyl)-2-methylbenzoic acid
SMILESCCCN(CCC)S(=O)(=O)c1cccc(C(=O)O)c1C
InChIInChI=1S/C14H21NO4S/c1-4-9-15(10-5-2)20(18,19)13-8-6-7-12(11(13)3)14(16)17/h6-8H,4-5,9-10H2,1-3H3,(H,16,17)
InChIKeySZGQXRYAHILVGM-UHFFFAOYSA-N
MW299.39 g/mol
LogP2.50
Rot. Bonds7

About 3-(dipropylsulfamoyl)-2-methylbenzoic acid

3-(dipropylsulfamoyl)-2-methylbenzoic acid (PubChem CID 63742799) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 3-(dipropylsulfamoyl)-2-methylbenzoic acid.

Molecular Properties

Compound Name3-(dipropylsulfamoyl)-2-methylbenzoic acid
PubChem CID63742799
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name3-(dipropylsulfamoyl)-2-methylbenzoic acid
SMILESCCCN(CCC)S(=O)(=O)c1cccc(C(=O)O)c1C
InChIInChI=1S/C14H21NO4S/c1-4-9-15(10-5-2)20(18,19)13-8-6-7-12(11(13)3)14(16)17/h6-8H,4-5,9-10H2,1-3H3,(H,16,17)
InChIKeySZGQXRYAHILVGM-UHFFFAOYSA-N
XLogP2.50
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dipropylsulfamoyl)-2-methylbenzoic acid?
The IUPAC name of 3-(dipropylsulfamoyl)-2-methylbenzoic acid (CID 63742799) is 3-(dipropylsulfamoyl)-2-methylbenzoic acid.
What is the SMILES notation for 3-(dipropylsulfamoyl)-2-methylbenzoic acid?
The canonical SMILES for 3-(dipropylsulfamoyl)-2-methylbenzoic acid is CCCN(CCC)S(=O)(=O)c1cccc(C(=O)O)c1C.
What is the InChIKey of 3-(dipropylsulfamoyl)-2-methylbenzoic acid?
The InChIKey is SZGQXRYAHILVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-4-9-15(10-5-2)20(18,19)13-8-6-7-12(11(13)3)14(16)17/h6-8H,4-5,9-10H2,1-3H3,(H,16,17).
What are the key properties of 3-(dipropylsulfamoyl)-2-methylbenzoic acid?
3-(dipropylsulfamoyl)-2-methylbenzoic acid has a molecular weight of 299.39 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dipropylsulfamoyl)-2-methylbenzoic acid is sourced from PubChem (CID 63742799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).