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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Related Compounds

3-[bis(2-hydroxyethyl)sulfamoyl]-2-methylbenzoic acid
CID 63743669
3-[bis(cyanomethyl)sulfamoyl]-2-methylbenzoic acid
CID 63742974
3-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]-2-methylbenzoic acid
CID 63742983
2-methyl-3-[methyl(pentan-3-yl)sulfamoyl]benzoic acid
CID 63742981
2-[butyl(2-hydroxyethyl)sulfamoyl]benzoic acid
CID 60951844
2-methyl-3-(2-propylsulfonylethylsulfonyl)benzoic acid
CID 106726685
3-[cyclopropyl(ethyl)sulfamoyl]-2-methylbenzoic acid
CID 63743647
3-[2-methoxyethyl(prop-2-enyl)sulfamoyl]-2-methylbenzoic acid
CID 103338546
3-[(2-methoxy-2-oxoethyl)-methylsulfamoyl]-2-methylbenzoic acid
CID 63742310
3-[2-(dimethylamino)-2-oxoethyl]sulfonyl-2-methylbenzoic acid
CID 81444540
2-methylbenzene-1,3-dicarboxylic acid;tridecane
CID 161399193
1-chloropropane;2-methylbenzene-1,3-dicarboxylic acid
CID 174884619

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).