4-[3-[4-fluoro-2-(hydroxymethyl)phenyl]propylamino]benzenesulfonamide

C16H19FN2O3S — CID 160651782

IUPAC4-[3-[4-fluoro-2-(hydroxymethyl)phenyl]propylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NCCCc2ccc(F)cc2CO)cc1
InChIInChI=1S/C16H19FN2O3S/c17-14-4-3-12(13(10-14)11-20)2-1-9-19-15-5-7-16(8-6-15)23(18,21)22/h3-8,10,19-20H,1-2,9,11H2,(H2,18,21,22)
InChIKeyRKNDGGMMDMSDRC-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.01
Rot. Bonds7

About 4-[3-[4-fluoro-2-(hydroxymethyl)phenyl]propylamino]benzenesulfonamide

4-[3-[4-fluoro-2-(hydroxymethyl)phenyl]propylamino]benzenesulfonamide (PubChem CID 160651782) has the molecular formula C16H19FN2O3S and a molecular weight of 338.40 g/mol. Its IUPAC name is 4-[3-[4-fluoro-2-(hydroxymethyl)phenyl]propylamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-[4-fluoro-2-(hydroxymethyl)phenyl]propylamino]benzenesulfonamide
PubChem CID160651782
Molecular FormulaC16H19FN2O3S
Molecular Weight338.40 g/mol
Exact Mass338.11
IUPAC Name4-[3-[4-fluoro-2-(hydroxymethyl)phenyl]propylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NCCCc2ccc(F)cc2CO)cc1
InChIInChI=1S/C16H19FN2O3S/c17-14-4-3-12(13(10-14)11-20)2-1-9-19-15-5-7-16(8-6-15)23(18,21)22/h3-8,10,19-20H,1-2,9,11H2,(H2,18,21,22)
InChIKeyRKNDGGMMDMSDRC-UHFFFAOYSA-N
XLogP2.01
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.01
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

4-[(4-fluoro-2-methylphenyl)methylamino]benzenesulfonamide
CID 62124000
4-(3-aminopropylamino)benzenesulfonamide
CID 43453740
4-[3-(2-hydroxyethoxy)propylamino]benzenesulfonamide
CID 106306869
4-[3-(dimethylamino)propylamino]benzenesulfonamide
CID 23290121
4-[3-(cyclopropylamino)propylamino]benzenesulfonamide
CID 43599575
2-bromo-5-fluoro-N-(4-sulfamoylphenyl)benzamide
CID 9035116
N-(4-fluorophenyl)-N'-(4-sulfamoylphenyl)oxamide
CID 108508654
3-amino-4-(hydroxymethyl)benzenesulfonamide
CID 67323774
4-fluorobenzenesulfonamide;hydroiodide
CID 175106101
3-fluoro-4-(4-hydroxybutylamino)benzenesulfonamide
CID 106842759
4-[[4-(octadecylamino)phenyl]diazenyl]benzenesulfonamide
CID 71335414
2-(4-fluoroanilino)ethanesulfonamide
CID 114384672

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-fluoro-2-(hydroxymethyl)phenyl]propylamino]benzenesulfonamide?
The IUPAC name of 4-[3-[4-fluoro-2-(hydroxymethyl)phenyl]propylamino]benzenesulfonamide (CID 160651782) is 4-[3-[4-fluoro-2-(hydroxymethyl)phenyl]propylamino]benzenesulfonamide.
What is the SMILES notation for 4-[3-[4-fluoro-2-(hydroxymethyl)phenyl]propylamino]benzenesulfonamide?
The canonical SMILES for 4-[3-[4-fluoro-2-(hydroxymethyl)phenyl]propylamino]benzenesulfonamide is NS(=O)(=O)c1ccc(NCCCc2ccc(F)cc2CO)cc1.
What is the InChIKey of 4-[3-[4-fluoro-2-(hydroxymethyl)phenyl]propylamino]benzenesulfonamide?
The InChIKey is RKNDGGMMDMSDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3S/c17-14-4-3-12(13(10-14)11-20)2-1-9-19-15-5-7-16(8-6-15)23(18,21)22/h3-8,10,19-20H,1-2,9,11H2,(H2,18,21,22).
What are the key properties of 4-[3-[4-fluoro-2-(hydroxymethyl)phenyl]propylamino]benzenesulfonamide?
4-[3-[4-fluoro-2-(hydroxymethyl)phenyl]propylamino]benzenesulfonamide has a molecular weight of 338.40 g/mol, XLogP of 2.01, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-fluoro-2-(hydroxymethyl)phenyl]propylamino]benzenesulfonamide is sourced from PubChem (CID 160651782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).