3-fluoro-4-(4-hydroxybutylamino)benzenesulfonamide

C10H15FN2O3S — CID 106842759

IUPAC3-fluoro-4-(4-hydroxybutylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NCCCCO)c(F)c1
InChIInChI=1S/C10H15FN2O3S/c11-9-7-8(17(12,15)16)3-4-10(9)13-5-1-2-6-14/h3-4,7,13-14H,1-2,5-6H2,(H2,12,15,16)
InChIKeyKMPGLGRBZFXDCK-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.66
Rot. Bonds6

About 3-fluoro-4-(4-hydroxybutylamino)benzenesulfonamide

3-fluoro-4-(4-hydroxybutylamino)benzenesulfonamide (PubChem CID 106842759) has the molecular formula C10H15FN2O3S and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-fluoro-4-(4-hydroxybutylamino)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-(4-hydroxybutylamino)benzenesulfonamide
PubChem CID106842759
Molecular FormulaC10H15FN2O3S
Molecular Weight262.31 g/mol
Exact Mass262.08
IUPAC Name3-fluoro-4-(4-hydroxybutylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NCCCCO)c(F)c1
InChIInChI=1S/C10H15FN2O3S/c11-9-7-8(17(12,15)16)3-4-10(9)13-5-1-2-6-14/h3-4,7,13-14H,1-2,5-6H2,(H2,12,15,16)
InChIKeyKMPGLGRBZFXDCK-UHFFFAOYSA-N
XLogP0.66
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.66
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-fluoro-4-(propylamino)benzenesulfonamide
CID 60713095
4-amino-3-(6-hydroxyhexylamino)benzenesulfonamide
CID 107843856
4-(3-ethylsulfanylpropylamino)-3-fluorobenzenesulfonamide
CID 114248401
4-(2-ethoxyethylamino)-3-fluorobenzenesulfonamide
CID 60965986
2-[2-(2-fluoro-4-sulfamoylanilino)ethoxy]acetic acid
CID 79457668
2-[2-(2-fluoro-4-sulfamoylanilino)ethoxy]acetamide
CID 106239840
4-[(2-amino-2-methylpropyl)amino]-3-fluorobenzenesulfonamide
CID 115303754
4-[2-(ethylsulfamoyl)ethylamino]-3-fluorobenzenesulfonamide
CID 106338502
4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-fluorobenzenesulfonamide
CID 107849521
3-fluoro-4-[2-(2-methoxyethylamino)ethylamino]benzenesulfonamide
CID 83029980
3-fluoro-4-[2-(2-hydroxyethyl)pentylamino]benzenesulfonamide
CID 106115793
N-(2-fluoro-4-sulfamoylphenyl)-3,3-dimethylbutanamide
CID 43246651

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(4-hydroxybutylamino)benzenesulfonamide?
The IUPAC name of 3-fluoro-4-(4-hydroxybutylamino)benzenesulfonamide (CID 106842759) is 3-fluoro-4-(4-hydroxybutylamino)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-(4-hydroxybutylamino)benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-(4-hydroxybutylamino)benzenesulfonamide is NS(=O)(=O)c1ccc(NCCCCO)c(F)c1.
What is the InChIKey of 3-fluoro-4-(4-hydroxybutylamino)benzenesulfonamide?
The InChIKey is KMPGLGRBZFXDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O3S/c11-9-7-8(17(12,15)16)3-4-10(9)13-5-1-2-6-14/h3-4,7,13-14H,1-2,5-6H2,(H2,12,15,16).
What are the key properties of 3-fluoro-4-(4-hydroxybutylamino)benzenesulfonamide?
3-fluoro-4-(4-hydroxybutylamino)benzenesulfonamide has a molecular weight of 262.31 g/mol, XLogP of 0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(4-hydroxybutylamino)benzenesulfonamide is sourced from PubChem (CID 106842759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).