2-(3-methoxypropylamino)-5-(3-methoxypropylsulfamoyl)benzoic acid

C15H24N2O6S — CID 99984062

IUPAC2-(3-methoxypropylamino)-5-(3-methoxypropylsulfamoyl)benzoic acid
SMILESCOCCCNc1ccc(S(=O)(=O)NCCCOC)cc1C(=O)O
InChIInChI=1S/C15H24N2O6S/c1-22-9-3-7-16-14-6-5-12(11-13(14)15(18)19)24(20,21)17-8-4-10-23-2/h5-6,11,16-17H,3-4,7-10H2,1-2H3,(H,18,19)
InChIKeyFJQXKYWYINSDCJ-UHFFFAOYSA-N
MW360.43 g/mol
LogP1.15
Rot. Bonds12

About 2-(3-methoxypropylamino)-5-(3-methoxypropylsulfamoyl)benzoic acid

2-(3-methoxypropylamino)-5-(3-methoxypropylsulfamoyl)benzoic acid (PubChem CID 99984062) has the molecular formula C15H24N2O6S and a molecular weight of 360.43 g/mol. Its IUPAC name is 2-(3-methoxypropylamino)-5-(3-methoxypropylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-(3-methoxypropylamino)-5-(3-methoxypropylsulfamoyl)benzoic acid
PubChem CID99984062
Molecular FormulaC15H24N2O6S
Molecular Weight360.43 g/mol
Exact Mass360.14
IUPAC Name2-(3-methoxypropylamino)-5-(3-methoxypropylsulfamoyl)benzoic acid
SMILESCOCCCNc1ccc(S(=O)(=O)NCCCOC)cc1C(=O)O
InChIInChI=1S/C15H24N2O6S/c1-22-9-3-7-16-14-6-5-12(11-13(14)15(18)19)24(20,21)17-8-4-10-23-2/h5-6,11,16-17H,3-4,7-10H2,1-2H3,(H,18,19)
InChIKeyFJQXKYWYINSDCJ-UHFFFAOYSA-N
XLogP1.15
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethylamino)-5-(3-methoxypropylsulfamoyl)benzoic acid
CID 99984056
2-(3-methoxypropylamino)-5-sulfamoylbenzoic acid
CID 43235564
5-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-2-(3-methoxypropylamino)benzoic acid
CID 99985030
5-(dimethylsulfamoyl)-2-(3-methoxypropylamino)benzoic acid
CID 60658564
2-(3-methoxypropylamino)-5-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 99985482
2-chloro-4-(3-methoxypropylsulfamoyl)benzoic acid
CID 113437739
5-(3-hydroxypropylsulfamoyl)-2-(pentylamino)benzoic acid
CID 99983760
2-(butylamino)-5-(2-hydroxyethylsulfamoyl)benzoic acid
CID 99983490
2-(3-ethoxypropylamino)-5-(2-methylpropylsulfamoyl)benzoic acid
CID 99982109
2-(ethylamino)-5-(3-hydroxypropylsulfamoyl)benzoic acid
CID 99988211
2-(3-ethoxypropylamino)-5-(prop-2-enylsulfamoyl)benzoic acid
CID 99982757
2-(benzylamino)-5-(3-propan-2-yloxypropylsulfamoyl)benzoic acid
CID 99986088

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropylamino)-5-(3-methoxypropylsulfamoyl)benzoic acid?
The IUPAC name of 2-(3-methoxypropylamino)-5-(3-methoxypropylsulfamoyl)benzoic acid (CID 99984062) is 2-(3-methoxypropylamino)-5-(3-methoxypropylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-(3-methoxypropylamino)-5-(3-methoxypropylsulfamoyl)benzoic acid?
The canonical SMILES for 2-(3-methoxypropylamino)-5-(3-methoxypropylsulfamoyl)benzoic acid is COCCCNc1ccc(S(=O)(=O)NCCCOC)cc1C(=O)O.
What is the InChIKey of 2-(3-methoxypropylamino)-5-(3-methoxypropylsulfamoyl)benzoic acid?
The InChIKey is FJQXKYWYINSDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O6S/c1-22-9-3-7-16-14-6-5-12(11-13(14)15(18)19)24(20,21)17-8-4-10-23-2/h5-6,11,16-17H,3-4,7-10H2,1-2H3,(H,18,19).
What are the key properties of 2-(3-methoxypropylamino)-5-(3-methoxypropylsulfamoyl)benzoic acid?
2-(3-methoxypropylamino)-5-(3-methoxypropylsulfamoyl)benzoic acid has a molecular weight of 360.43 g/mol, XLogP of 1.15, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropylamino)-5-(3-methoxypropylsulfamoyl)benzoic acid is sourced from PubChem (CID 99984062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).