3-hydroxy-4-methyl-N-(3-sulfamoylpropyl)benzamide

C11H16N2O4S — CID 61132238

IUPAC3-hydroxy-4-methyl-N-(3-sulfamoylpropyl)benzamide
SMILESCc1ccc(C(=O)NCCCS(N)(=O)=O)cc1O
InChIInChI=1S/C11H16N2O4S/c1-8-3-4-9(7-10(8)14)11(15)13-5-2-6-18(12,16)17/h3-4,7,14H,2,5-6H2,1H3,(H,13,15)(H2,12,16,17)
InChIKeyLNYNBZZYKNLZSJ-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.11
Rot. Bonds5

About 3-hydroxy-4-methyl-N-(3-sulfamoylpropyl)benzamide

3-hydroxy-4-methyl-N-(3-sulfamoylpropyl)benzamide (PubChem CID 61132238) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-hydroxy-4-methyl-N-(3-sulfamoylpropyl)benzamide.

Molecular Properties

Compound Name3-hydroxy-4-methyl-N-(3-sulfamoylpropyl)benzamide
PubChem CID61132238
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name3-hydroxy-4-methyl-N-(3-sulfamoylpropyl)benzamide
SMILESCc1ccc(C(=O)NCCCS(N)(=O)=O)cc1O
InChIInChI=1S/C11H16N2O4S/c1-8-3-4-9(7-10(8)14)11(15)13-5-2-6-18(12,16)17/h3-4,7,14H,2,5-6H2,1H3,(H,13,15)(H2,12,16,17)
InChIKeyLNYNBZZYKNLZSJ-UHFFFAOYSA-N
XLogP0.11
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-N-(2-hydroxyethyl)-4-methylbenzamide
CID 43416195
3-bromo-4-methyl-N-(2-sulfamoylethyl)benzamide
CID 71982585
4-bromo-3-hydroxy-N-(3-methylsulfonylpropyl)benzamide
CID 103830547
4-methylsulfanyl-N-(3-sulfamoylpropyl)benzamide
CID 112733928
3-bromo-4-methyl-N-(3-methylsulfonylpropyl)benzamide
CID 79466574
N-(3-sulfamoylpropyl)-1,3-benzodioxole-5-carboxamide
CID 47336935
4-(propylamino)-N-(3-sulfamoylpropyl)benzamide
CID 62180515
2-methyl-N-(3-sulfamoylpropyl)-5-sulfanylbenzamide
CID 107027336
N-(3-sulfamoylpropyl)-1H-indole-6-carboxamide
CID 47343118
3-hydroxy-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62664549
N-(3-sulfamoylpropyl)pyridine-4-carboxamide
CID 47337075
5-(3-sulfamoylpropylcarbamoyl)pyridine-2-carboxylic acid
CID 61150263

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methyl-N-(3-sulfamoylpropyl)benzamide?
The IUPAC name of 3-hydroxy-4-methyl-N-(3-sulfamoylpropyl)benzamide (CID 61132238) is 3-hydroxy-4-methyl-N-(3-sulfamoylpropyl)benzamide.
What is the SMILES notation for 3-hydroxy-4-methyl-N-(3-sulfamoylpropyl)benzamide?
The canonical SMILES for 3-hydroxy-4-methyl-N-(3-sulfamoylpropyl)benzamide is Cc1ccc(C(=O)NCCCS(N)(=O)=O)cc1O.
What is the InChIKey of 3-hydroxy-4-methyl-N-(3-sulfamoylpropyl)benzamide?
The InChIKey is LNYNBZZYKNLZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-8-3-4-9(7-10(8)14)11(15)13-5-2-6-18(12,16)17/h3-4,7,14H,2,5-6H2,1H3,(H,13,15)(H2,12,16,17).
What are the key properties of 3-hydroxy-4-methyl-N-(3-sulfamoylpropyl)benzamide?
3-hydroxy-4-methyl-N-(3-sulfamoylpropyl)benzamide has a molecular weight of 272.33 g/mol, XLogP of 0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methyl-N-(3-sulfamoylpropyl)benzamide is sourced from PubChem (CID 61132238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).