2-(3-methoxypropylamino)-5-sulfamoylbenzoic acid

C11H16N2O5S — CID 43235564

IUPAC2-(3-methoxypropylamino)-5-sulfamoylbenzoic acid
SMILESCOCCCNc1ccc(S(N)(=O)=O)cc1C(=O)O
InChIInChI=1S/C11H16N2O5S/c1-18-6-2-5-13-10-4-3-8(19(12,16)17)7-9(10)11(14)15/h3-4,7,13H,2,5-6H2,1H3,(H,14,15)(H2,12,16,17)
InChIKeyJLCYOWXVYBAQKK-UHFFFAOYSA-N
MW288.32 g/mol
LogP0.48
Rot. Bonds7

About 2-(3-methoxypropylamino)-5-sulfamoylbenzoic acid

2-(3-methoxypropylamino)-5-sulfamoylbenzoic acid (PubChem CID 43235564) has the molecular formula C11H16N2O5S and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-(3-methoxypropylamino)-5-sulfamoylbenzoic acid.

Molecular Properties

Compound Name2-(3-methoxypropylamino)-5-sulfamoylbenzoic acid
PubChem CID43235564
Molecular FormulaC11H16N2O5S
Molecular Weight288.32 g/mol
Exact Mass288.08
IUPAC Name2-(3-methoxypropylamino)-5-sulfamoylbenzoic acid
SMILESCOCCCNc1ccc(S(N)(=O)=O)cc1C(=O)O
InChIInChI=1S/C11H16N2O5S/c1-18-6-2-5-13-10-4-3-8(19(12,16)17)7-9(10)11(14)15/h3-4,7,13H,2,5-6H2,1H3,(H,14,15)(H2,12,16,17)
InChIKeyJLCYOWXVYBAQKK-UHFFFAOYSA-N
XLogP0.48
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxypropylamino)-5-(3-methoxypropylsulfamoyl)benzoic acid
CID 99984062
5-(dimethylsulfamoyl)-2-(3-methoxypropylamino)benzoic acid
CID 60658564
2-[(3-hydroxy-4-methoxybutyl)amino]-5-sulfamoylbenzoic acid
CID 106247934
2-(2-methoxyethylamino)-5-(3-methoxypropylsulfamoyl)benzoic acid
CID 99984056
5-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-2-(3-methoxypropylamino)benzoic acid
CID 99985030
2-(3-methoxypropylsulfanyl)-5-sulfamoylbenzoic acid
CID 63856271
5-amino-2-(2-methoxyethylamino)benzoic acid
CID 60988686
5-bromo-2-(4-methoxybutylamino)benzoic acid
CID 114895530
2-(3-methoxypropylamino)-5-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 99985482
2-[3-methoxypropyl(methyl)amino]-5-sulfamoylbenzoic acid
CID 63009379
2-(2-methoxyethylamino)-5-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid
CID 99986909
2-(3-ethoxypropylamino)-5-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid
CID 99987044

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropylamino)-5-sulfamoylbenzoic acid?
The IUPAC name of 2-(3-methoxypropylamino)-5-sulfamoylbenzoic acid (CID 43235564) is 2-(3-methoxypropylamino)-5-sulfamoylbenzoic acid.
What is the SMILES notation for 2-(3-methoxypropylamino)-5-sulfamoylbenzoic acid?
The canonical SMILES for 2-(3-methoxypropylamino)-5-sulfamoylbenzoic acid is COCCCNc1ccc(S(N)(=O)=O)cc1C(=O)O.
What is the InChIKey of 2-(3-methoxypropylamino)-5-sulfamoylbenzoic acid?
The InChIKey is JLCYOWXVYBAQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-18-6-2-5-13-10-4-3-8(19(12,16)17)7-9(10)11(14)15/h3-4,7,13H,2,5-6H2,1H3,(H,14,15)(H2,12,16,17).
What are the key properties of 2-(3-methoxypropylamino)-5-sulfamoylbenzoic acid?
2-(3-methoxypropylamino)-5-sulfamoylbenzoic acid has a molecular weight of 288.32 g/mol, XLogP of 0.48, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropylamino)-5-sulfamoylbenzoic acid is sourced from PubChem (CID 43235564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).