N-[3-(dimethylamino)propyl]-2-hydroxybenzenesulfonamide

C11H18N2O3S — CID 81242201

IUPACN-[3-(dimethylamino)propyl]-2-hydroxybenzenesulfonamide
SMILESCN(C)CCCNS(=O)(=O)c1ccccc1O
InChIInChI=1S/C11H18N2O3S/c1-13(2)9-5-8-12-17(15,16)11-7-4-3-6-10(11)14/h3-4,6-7,12,14H,5,8-9H2,1-2H3
InChIKeyMGGAOEPKSATFRE-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.62
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-2-hydroxybenzenesulfonamide

N-[3-(dimethylamino)propyl]-2-hydroxybenzenesulfonamide (PubChem CID 81242201) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-hydroxybenzenesulfonamide
PubChem CID81242201
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC NameN-[3-(dimethylamino)propyl]-2-hydroxybenzenesulfonamide
SMILESCN(C)CCCNS(=O)(=O)c1ccccc1O
InChIInChI=1S/C11H18N2O3S/c1-13(2)9-5-8-12-17(15,16)11-7-4-3-6-10(11)14/h3-4,6-7,12,14H,5,8-9H2,1-2H3
InChIKeyMGGAOEPKSATFRE-UHFFFAOYSA-N
XLogP0.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.62
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-amino-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 16782691
3-bromo-N-[3-(dimethylamino)propyl]-2-methylbenzenesulfonamide
CID 134282662
N-[3-(dimethylamino)propyl]-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 107962486
N-[2-[cyclopentyl(methyl)amino]ethyl]-2-hydroxybenzenesulfonamide
CID 81245872
N-hex-5-ynyl-2-hydroxybenzenesulfonamide
CID 114159058
2-chloro-N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]benzenesulfonamide
CID 113066442
5-bromo-N-[3-(dimethylamino)propyl]-2-methylbenzenesulfonamide
CID 8513346
N-[3-(dimethylamino)propyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 114132383
N-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-N-[3-(dimethylamino)propyl]acetamide
CID 113053852
N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 106843929
3-(aminomethyl)-N-[4-(dimethylamino)butyl]-2-methylbenzenesulfonamide
CID 106051784
N-benzyl-4-[3-(dimethylamino)propylsulfamoyl]benzamide
CID 109060284

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-hydroxybenzenesulfonamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-hydroxybenzenesulfonamide (CID 81242201) is N-[3-(dimethylamino)propyl]-2-hydroxybenzenesulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-hydroxybenzenesulfonamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-hydroxybenzenesulfonamide is CN(C)CCCNS(=O)(=O)c1ccccc1O.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-hydroxybenzenesulfonamide?
The InChIKey is MGGAOEPKSATFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-13(2)9-5-8-12-17(15,16)11-7-4-3-6-10(11)14/h3-4,6-7,12,14H,5,8-9H2,1-2H3.
What are the key properties of N-[3-(dimethylamino)propyl]-2-hydroxybenzenesulfonamide?
N-[3-(dimethylamino)propyl]-2-hydroxybenzenesulfonamide has a molecular weight of 258.34 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 81242201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).