5-(3-aminopropylsulfamoyl)-2-hydroxy-4-methylbenzoic acid

C11H16N2O5S — CID 62268095

IUPAC5-(3-aminopropylsulfamoyl)-2-hydroxy-4-methylbenzoic acid
SMILESCc1cc(O)c(C(=O)O)cc1S(=O)(=O)NCCCN
InChIInChI=1S/C11H16N2O5S/c1-7-5-9(14)8(11(15)16)6-10(7)19(17,18)13-4-2-3-12/h5-6,13-14H,2-4,12H2,1H3,(H,15,16)
InChIKeyGVQVWZLPTIVEOH-UHFFFAOYSA-N
MW288.32 g/mol
LogP0.03
Rot. Bonds6

About 5-(3-aminopropylsulfamoyl)-2-hydroxy-4-methylbenzoic acid

5-(3-aminopropylsulfamoyl)-2-hydroxy-4-methylbenzoic acid (PubChem CID 62268095) has the molecular formula C11H16N2O5S and a molecular weight of 288.32 g/mol. Its IUPAC name is 5-(3-aminopropylsulfamoyl)-2-hydroxy-4-methylbenzoic acid.

Molecular Properties

Compound Name5-(3-aminopropylsulfamoyl)-2-hydroxy-4-methylbenzoic acid
PubChem CID62268095
Molecular FormulaC11H16N2O5S
Molecular Weight288.32 g/mol
Exact Mass288.08
IUPAC Name5-(3-aminopropylsulfamoyl)-2-hydroxy-4-methylbenzoic acid
SMILESCc1cc(O)c(C(=O)O)cc1S(=O)(=O)NCCCN
InChIInChI=1S/C11H16N2O5S/c1-7-5-9(14)8(11(15)16)6-10(7)19(17,18)13-4-2-3-12/h5-6,13-14H,2-4,12H2,1H3,(H,15,16)
InChIKeyGVQVWZLPTIVEOH-UHFFFAOYSA-N
XLogP0.03
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 50.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-4-methyl-5-[3-(methylamino)propylsulfamoyl]benzoic acid
CID 61403390
5-(2-cyanopropylsulfamoyl)-2-hydroxy-4-methylbenzoic acid
CID 62666189
2-hydroxy-4-methyl-5-[(2-methyl-3-methylsulfanylpropyl)sulfamoyl]benzoic acid
CID 63966404
2-hydroxy-5-(1-hydroxypropan-2-ylsulfamoyl)-4-methylbenzoic acid
CID 43499094
2-hydroxy-4-methyl-5-[(1-methylsulfanylcyclopropyl)methylsulfamoyl]benzoic acid
CID 107266448
5-(hexan-2-ylsulfamoyl)-2-hydroxy-4-methylbenzoic acid
CID 62199832
N-(3-aminopropyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 28754094
2-hydroxy-4-methyl-5-(3-methylpentan-2-ylsulfamoyl)benzoic acid
CID 61395257
2-hydroxy-4-methyl-5-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid
CID 81176901
ethyl 3-(3-aminopropylsulfamoyl)-4-methylbenzoate
CID 120706731
2-hydroxy-5-[[2-(methanesulfonamido)phenyl]sulfamoyl]-4-methylbenzoic acid
CID 55676420
2-hydroxy-4-methyl-5-(thiolan-3-ylmethylsulfamoyl)benzoic acid
CID 107295072

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropylsulfamoyl)-2-hydroxy-4-methylbenzoic acid?
The IUPAC name of 5-(3-aminopropylsulfamoyl)-2-hydroxy-4-methylbenzoic acid (CID 62268095) is 5-(3-aminopropylsulfamoyl)-2-hydroxy-4-methylbenzoic acid.
What is the SMILES notation for 5-(3-aminopropylsulfamoyl)-2-hydroxy-4-methylbenzoic acid?
The canonical SMILES for 5-(3-aminopropylsulfamoyl)-2-hydroxy-4-methylbenzoic acid is Cc1cc(O)c(C(=O)O)cc1S(=O)(=O)NCCCN.
What is the InChIKey of 5-(3-aminopropylsulfamoyl)-2-hydroxy-4-methylbenzoic acid?
The InChIKey is GVQVWZLPTIVEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-7-5-9(14)8(11(15)16)6-10(7)19(17,18)13-4-2-3-12/h5-6,13-14H,2-4,12H2,1H3,(H,15,16).
What are the key properties of 5-(3-aminopropylsulfamoyl)-2-hydroxy-4-methylbenzoic acid?
5-(3-aminopropylsulfamoyl)-2-hydroxy-4-methylbenzoic acid has a molecular weight of 288.32 g/mol, XLogP of 0.03, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropylsulfamoyl)-2-hydroxy-4-methylbenzoic acid is sourced from PubChem (CID 62268095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).