3-amino-5-fluoro-N,N-dipropylbenzenesulfonamide

C12H19FN2O2S — CID 63322122

IUPAC3-amino-5-fluoro-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1cc(N)cc(F)c1
InChIInChI=1S/C12H19FN2O2S/c1-3-5-15(6-4-2)18(16,17)12-8-10(13)7-11(14)9-12/h7-9H,3-6,14H2,1-2H3
InChIKeyFACDFOIJMVBUPR-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.22
Rot. Bonds6

About 3-amino-5-fluoro-N,N-dipropylbenzenesulfonamide

3-amino-5-fluoro-N,N-dipropylbenzenesulfonamide (PubChem CID 63322122) has the molecular formula C12H19FN2O2S and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-amino-5-fluoro-N,N-dipropylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-fluoro-N,N-dipropylbenzenesulfonamide
PubChem CID63322122
Molecular FormulaC12H19FN2O2S
Molecular Weight274.36 g/mol
Exact Mass274.12
IUPAC Name3-amino-5-fluoro-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1cc(N)cc(F)c1
InChIInChI=1S/C12H19FN2O2S/c1-3-5-15(6-4-2)18(16,17)12-8-10(13)7-11(14)9-12/h7-9H,3-6,14H2,1-2H3
InChIKeyFACDFOIJMVBUPR-UHFFFAOYSA-N
XLogP2.22
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-ethyl-5-fluoro-N-propylbenzenesulfonamide
CID 63322173
3-amino-N-ethyl-5-fluoro-N-(3-hydroxypropyl)benzenesulfonamide
CID 113468559
2-[(3-amino-5-fluorophenyl)sulfonyl-butylamino]acetamide
CID 63322009
3-amino-N-[2-(dimethylamino)ethyl]-5-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 63322704
3-amino-5-fluoro-4-methyl-N,N-dipropylbenzenesulfonamide
CID 116791316
3-amino-N-(2-cyanoethyl)-5-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 63322527
3-amino-5-fluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzenesulfonamide
CID 55205685
3-fluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
CID 3835270
3-(aminomethyl)-4-fluoro-5-methyl-N,N-dipropylbenzenesulfonamide
CID 81435108
5-amino-2,3-dimethyl-N,N-dipropylbenzenesulfonamide
CID 28551352
3-amino-5-fluoro-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
CID 63322234
3-[3-(dimethylamino)propylsulfonyl]-5-fluoroaniline
CID 114526905

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-N,N-dipropylbenzenesulfonamide?
The IUPAC name of 3-amino-5-fluoro-N,N-dipropylbenzenesulfonamide (CID 63322122) is 3-amino-5-fluoro-N,N-dipropylbenzenesulfonamide.
What is the SMILES notation for 3-amino-5-fluoro-N,N-dipropylbenzenesulfonamide?
The canonical SMILES for 3-amino-5-fluoro-N,N-dipropylbenzenesulfonamide is CCCN(CCC)S(=O)(=O)c1cc(N)cc(F)c1.
What is the InChIKey of 3-amino-5-fluoro-N,N-dipropylbenzenesulfonamide?
The InChIKey is FACDFOIJMVBUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O2S/c1-3-5-15(6-4-2)18(16,17)12-8-10(13)7-11(14)9-12/h7-9H,3-6,14H2,1-2H3.
What are the key properties of 3-amino-5-fluoro-N,N-dipropylbenzenesulfonamide?
3-amino-5-fluoro-N,N-dipropylbenzenesulfonamide has a molecular weight of 274.36 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-N,N-dipropylbenzenesulfonamide is sourced from PubChem (CID 63322122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).