3-(3-methoxypropylsulfamoyl)-2-methylbenzoic acid

C12H17NO5S — CID 55230128

IUPAC3-(3-methoxypropylsulfamoyl)-2-methylbenzoic acid
SMILESCOCCCNS(=O)(=O)c1cccc(C(=O)O)c1C
InChIInChI=1S/C12H17NO5S/c1-9-10(12(14)15)5-3-6-11(9)19(16,17)13-7-4-8-18-2/h3,5-6,13H,4,7-8H2,1-2H3,(H,14,15)
InChIKeyUAYCKRVIOYCILX-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.01
Rot. Bonds7

About 3-(3-methoxypropylsulfamoyl)-2-methylbenzoic acid

3-(3-methoxypropylsulfamoyl)-2-methylbenzoic acid (PubChem CID 55230128) has the molecular formula C12H17NO5S and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-(3-methoxypropylsulfamoyl)-2-methylbenzoic acid.

Molecular Properties

Compound Name3-(3-methoxypropylsulfamoyl)-2-methylbenzoic acid
PubChem CID55230128
Molecular FormulaC12H17NO5S
Molecular Weight287.34 g/mol
Exact Mass287.08
IUPAC Name3-(3-methoxypropylsulfamoyl)-2-methylbenzoic acid
SMILESCOCCCNS(=O)(=O)c1cccc(C(=O)O)c1C
InChIInChI=1S/C12H17NO5S/c1-9-10(12(14)15)5-3-6-11(9)19(16,17)13-7-4-8-18-2/h3,5-6,13H,4,7-8H2,1-2H3,(H,14,15)
InChIKeyUAYCKRVIOYCILX-UHFFFAOYSA-N
XLogP1.01
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-(3-propoxypropylsulfamoyl)benzoic acid
CID 82941000
3-(4-hydroxypentylsulfamoyl)-2-methylbenzoic acid
CID 106120528
3-(2,2-dimethoxyethylsulfamoyl)-2-methylbenzoic acid
CID 79548241
3-(hex-5-ynylsulfamoyl)-2-methylbenzoic acid
CID 106208962
3-(2-acetamidoethylsulfamoyl)-2-methylbenzoic acid
CID 63742484
3-(cyanomethylsulfamoyl)-2-methylbenzoic acid
CID 63743988
3-(but-3-enylsulfamoyl)-2-methylbenzoic acid
CID 113465362
methyl 3-(3-aminopropylsulfamoyl)-2-methylbenzoate
CID 119962127
methyl 2-(5-methoxypentylsulfamoyl)benzoate
CID 103833559
methyl 3-(4-aminobutylsulfamoyl)-2-methylbenzoate
CID 120583645
2,4-dichloro-5-(3-methoxypropylsulfamoyl)benzoic acid
CID 43235233
3-[2-(furan-2-yl)ethylsulfamoyl]-2-methylbenzoic acid
CID 63743675

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropylsulfamoyl)-2-methylbenzoic acid?
The IUPAC name of 3-(3-methoxypropylsulfamoyl)-2-methylbenzoic acid (CID 55230128) is 3-(3-methoxypropylsulfamoyl)-2-methylbenzoic acid.
What is the SMILES notation for 3-(3-methoxypropylsulfamoyl)-2-methylbenzoic acid?
The canonical SMILES for 3-(3-methoxypropylsulfamoyl)-2-methylbenzoic acid is COCCCNS(=O)(=O)c1cccc(C(=O)O)c1C.
What is the InChIKey of 3-(3-methoxypropylsulfamoyl)-2-methylbenzoic acid?
The InChIKey is UAYCKRVIOYCILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S/c1-9-10(12(14)15)5-3-6-11(9)19(16,17)13-7-4-8-18-2/h3,5-6,13H,4,7-8H2,1-2H3,(H,14,15).
What are the key properties of 3-(3-methoxypropylsulfamoyl)-2-methylbenzoic acid?
3-(3-methoxypropylsulfamoyl)-2-methylbenzoic acid has a molecular weight of 287.34 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropylsulfamoyl)-2-methylbenzoic acid is sourced from PubChem (CID 55230128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).