4-[3-(2-hydroxyethoxy)propylamino]benzenesulfonamide

C11H18N2O4S — CID 106306869

IUPAC4-[3-(2-hydroxyethoxy)propylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NCCCOCCO)cc1
InChIInChI=1S/C11H18N2O4S/c12-18(15,16)11-4-2-10(3-5-11)13-6-1-8-17-9-7-14/h2-5,13-14H,1,6-9H2,(H2,12,15,16)
InChIKeyZIJIIHGNQFXCRQ-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.14
Rot. Bonds8

About 4-[3-(2-hydroxyethoxy)propylamino]benzenesulfonamide

4-[3-(2-hydroxyethoxy)propylamino]benzenesulfonamide (PubChem CID 106306869) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 4-[3-(2-hydroxyethoxy)propylamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(2-hydroxyethoxy)propylamino]benzenesulfonamide
PubChem CID106306869
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name4-[3-(2-hydroxyethoxy)propylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NCCCOCCO)cc1
InChIInChI=1S/C11H18N2O4S/c12-18(15,16)11-4-2-10(3-5-11)13-6-1-8-17-9-7-14/h2-5,13-14H,1,6-9H2,(H2,12,15,16)
InChIKeyZIJIIHGNQFXCRQ-UHFFFAOYSA-N
XLogP0.14
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.14
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

4-(3-aminopropylamino)benzenesulfonamide
CID 43453740
4-[3-(dimethylamino)propylamino]benzenesulfonamide
CID 23290121
4-(2-ethoxyethylamino)benzenesulfonamide
CID 43591264
4-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 62498471
4-[3-(cyclopropylamino)propylamino]benzenesulfonamide
CID 43599575
2-[2-[2-[2-(4-aminoanilino)ethoxy]ethoxy]ethoxy]ethanol
CID 150016700
4-[3-[4-fluoro-2-(hydroxymethyl)phenyl]propylamino]benzenesulfonamide
CID 160651782
2-[3-(4-amino-3-methoxyanilino)propoxy]ethanol
CID 106308975
2-[2-[2-[4-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]phenyl]anilino]ethoxy]ethoxy]ethanol
CID 10433809
4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 43453851
4-(difluoromethylsulfonyl)-N-(3-ethoxypropyl)aniline
CID 43455318
2-amino-5-bromo-4-fluoro-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide
CID 106308613

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-hydroxyethoxy)propylamino]benzenesulfonamide?
The IUPAC name of 4-[3-(2-hydroxyethoxy)propylamino]benzenesulfonamide (CID 106306869) is 4-[3-(2-hydroxyethoxy)propylamino]benzenesulfonamide.
What is the SMILES notation for 4-[3-(2-hydroxyethoxy)propylamino]benzenesulfonamide?
The canonical SMILES for 4-[3-(2-hydroxyethoxy)propylamino]benzenesulfonamide is NS(=O)(=O)c1ccc(NCCCOCCO)cc1.
What is the InChIKey of 4-[3-(2-hydroxyethoxy)propylamino]benzenesulfonamide?
The InChIKey is ZIJIIHGNQFXCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c12-18(15,16)11-4-2-10(3-5-11)13-6-1-8-17-9-7-14/h2-5,13-14H,1,6-9H2,(H2,12,15,16).
What are the key properties of 4-[3-(2-hydroxyethoxy)propylamino]benzenesulfonamide?
4-[3-(2-hydroxyethoxy)propylamino]benzenesulfonamide has a molecular weight of 274.34 g/mol, XLogP of 0.14, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-hydroxyethoxy)propylamino]benzenesulfonamide is sourced from PubChem (CID 106306869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).