3-amino-5-fluoro-N-(4-propan-2-yloxybutyl)benzenesulfonamide

C13H21FN2O3S — CID 106006576

IUPAC3-amino-5-fluoro-N-(4-propan-2-yloxybutyl)benzenesulfonamide
SMILESCC(C)OCCCCNS(=O)(=O)c1cc(N)cc(F)c1
InChIInChI=1S/C13H21FN2O3S/c1-10(2)19-6-4-3-5-16-20(17,18)13-8-11(14)7-12(15)9-13/h7-10,16H,3-6,15H2,1-2H3
InChIKeyOSBRBCWLXSUXAQ-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.89
Rot. Bonds8

About 3-amino-5-fluoro-N-(4-propan-2-yloxybutyl)benzenesulfonamide

3-amino-5-fluoro-N-(4-propan-2-yloxybutyl)benzenesulfonamide (PubChem CID 106006576) has the molecular formula C13H21FN2O3S and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-amino-5-fluoro-N-(4-propan-2-yloxybutyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-fluoro-N-(4-propan-2-yloxybutyl)benzenesulfonamide
PubChem CID106006576
Molecular FormulaC13H21FN2O3S
Molecular Weight304.39 g/mol
Exact Mass304.13
IUPAC Name3-amino-5-fluoro-N-(4-propan-2-yloxybutyl)benzenesulfonamide
SMILESCC(C)OCCCCNS(=O)(=O)c1cc(N)cc(F)c1
InChIInChI=1S/C13H21FN2O3S/c1-10(2)19-6-4-3-5-16-20(17,18)13-8-11(14)7-12(15)9-13/h7-10,16H,3-6,15H2,1-2H3
InChIKeyOSBRBCWLXSUXAQ-UHFFFAOYSA-N
XLogP1.89
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.89
H-Bond Donors ≤ 52
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-5-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104758401
3-amino-5-fluoro-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63982222
2-[(3-amino-5-fluorophenyl)sulfonylamino]ethyl carbamate
CID 83201880
3-amino-5-fluoro-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 106333327
4-amino-3-methoxy-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106006616
3-amino-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide
CID 63322367
3-amino-5-fluoro-N-(2-sulfamoylethyl)benzenesulfonamide
CID 63322264
4-fluoro-3-(hydroxymethyl)-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106014466
4-hydroxy-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106011750
3-(aminomethyl)-4-chloro-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106094494
3-[(4-fluorophenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide
CID 17192279
3,5-difluoro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide
CID 43606868

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-N-(4-propan-2-yloxybutyl)benzenesulfonamide?
The IUPAC name of 3-amino-5-fluoro-N-(4-propan-2-yloxybutyl)benzenesulfonamide (CID 106006576) is 3-amino-5-fluoro-N-(4-propan-2-yloxybutyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-fluoro-N-(4-propan-2-yloxybutyl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-fluoro-N-(4-propan-2-yloxybutyl)benzenesulfonamide is CC(C)OCCCCNS(=O)(=O)c1cc(N)cc(F)c1.
What is the InChIKey of 3-amino-5-fluoro-N-(4-propan-2-yloxybutyl)benzenesulfonamide?
The InChIKey is OSBRBCWLXSUXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O3S/c1-10(2)19-6-4-3-5-16-20(17,18)13-8-11(14)7-12(15)9-13/h7-10,16H,3-6,15H2,1-2H3.
What are the key properties of 3-amino-5-fluoro-N-(4-propan-2-yloxybutyl)benzenesulfonamide?
3-amino-5-fluoro-N-(4-propan-2-yloxybutyl)benzenesulfonamide has a molecular weight of 304.39 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-N-(4-propan-2-yloxybutyl)benzenesulfonamide is sourced from PubChem (CID 106006576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).