3-amino-4-fluoro-N-(4-hydroxypentyl)benzenesulfonamide

C11H17FN2O3S — CID 114145999

IUPAC3-amino-4-fluoro-N-(4-hydroxypentyl)benzenesulfonamide
SMILESCC(O)CCCNS(=O)(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C11H17FN2O3S/c1-8(15)3-2-6-14-18(16,17)9-4-5-10(12)11(13)7-9/h4-5,7-8,14-15H,2-3,6,13H2,1H3
InChIKeyJOLWKCPQBVSRIN-UHFFFAOYSA-N
MW276.33 g/mol
LogP0.85
Rot. Bonds6

About 3-amino-4-fluoro-N-(4-hydroxypentyl)benzenesulfonamide

3-amino-4-fluoro-N-(4-hydroxypentyl)benzenesulfonamide (PubChem CID 114145999) has the molecular formula C11H17FN2O3S and a molecular weight of 276.33 g/mol. Its IUPAC name is 3-amino-4-fluoro-N-(4-hydroxypentyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-fluoro-N-(4-hydroxypentyl)benzenesulfonamide
PubChem CID114145999
Molecular FormulaC11H17FN2O3S
Molecular Weight276.33 g/mol
Exact Mass276.09
IUPAC Name3-amino-4-fluoro-N-(4-hydroxypentyl)benzenesulfonamide
SMILESCC(O)CCCNS(=O)(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C11H17FN2O3S/c1-8(15)3-2-6-14-18(16,17)9-4-5-10(12)11(13)7-9/h4-5,7-8,14-15H,2-3,6,13H2,1H3
InChIKeyJOLWKCPQBVSRIN-UHFFFAOYSA-N
XLogP0.85
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-fluoro-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 61126580
4-amino-3-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 82844340
3-amino-4-fluoro-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63981154
3-amino-4-chloro-N-(3-hydroxybutyl)benzenesulfonamide
CID 53409667
3-amino-4-fluoro-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide
CID 66091028
3-cyano-4-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64911013
4-fluoro-N-(3-hydroxybutyl)-3-nitrobenzenesulfonamide
CID 64911034
3-fluoro-N-(3-hydroxybutyl)-4-methoxybenzenesulfonamide
CID 64912268
2,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide
CID 107271298
3-amino-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65104000
3-(aminomethyl)-4-fluoro-N-(3-methylbutyl)benzenesulfonamide
CID 28716883
N-(4-hydroxypentyl)-3,5-dimethylbenzenesulfonamide
CID 106125984

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-N-(4-hydroxypentyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-fluoro-N-(4-hydroxypentyl)benzenesulfonamide (CID 114145999) is 3-amino-4-fluoro-N-(4-hydroxypentyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-fluoro-N-(4-hydroxypentyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-fluoro-N-(4-hydroxypentyl)benzenesulfonamide is CC(O)CCCNS(=O)(=O)c1ccc(F)c(N)c1.
What is the InChIKey of 3-amino-4-fluoro-N-(4-hydroxypentyl)benzenesulfonamide?
The InChIKey is JOLWKCPQBVSRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O3S/c1-8(15)3-2-6-14-18(16,17)9-4-5-10(12)11(13)7-9/h4-5,7-8,14-15H,2-3,6,13H2,1H3.
What are the key properties of 3-amino-4-fluoro-N-(4-hydroxypentyl)benzenesulfonamide?
3-amino-4-fluoro-N-(4-hydroxypentyl)benzenesulfonamide has a molecular weight of 276.33 g/mol, XLogP of 0.85, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-N-(4-hydroxypentyl)benzenesulfonamide is sourced from PubChem (CID 114145999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).