2-amino-6-fluoro-N-(3-methylsulfinylpropyl)benzenesulfonamide

C10H15FN2O3S2 — CID 113487178

IUPAC2-amino-6-fluoro-N-(3-methylsulfinylpropyl)benzenesulfonamide
SMILESCS(=O)CCCNS(=O)(=O)c1c(N)cccc1F
InChIInChI=1S/C10H15FN2O3S2/c1-17(14)7-3-6-13-18(15,16)10-8(11)4-2-5-9(10)12/h2,4-5,13H,3,6-7,12H2,1H3
InChIKeyLRIJMDPFHFZZMF-UHFFFAOYSA-N
MW294.37 g/mol
LogP0.45
Rot. Bonds6

About 2-amino-6-fluoro-N-(3-methylsulfinylpropyl)benzenesulfonamide

2-amino-6-fluoro-N-(3-methylsulfinylpropyl)benzenesulfonamide (PubChem CID 113487178) has the molecular formula C10H15FN2O3S2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-(3-methylsulfinylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-(3-methylsulfinylpropyl)benzenesulfonamide
PubChem CID113487178
Molecular FormulaC10H15FN2O3S2
Molecular Weight294.37 g/mol
Exact Mass294.05
IUPAC Name2-amino-6-fluoro-N-(3-methylsulfinylpropyl)benzenesulfonamide
SMILESCS(=O)CCCNS(=O)(=O)c1c(N)cccc1F
InChIInChI=1S/C10H15FN2O3S2/c1-17(14)7-3-6-13-18(15,16)10-8(11)4-2-5-9(10)12/h2,4-5,13H,3,6-7,12H2,1H3
InChIKeyLRIJMDPFHFZZMF-UHFFFAOYSA-N
XLogP0.45
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 50.45
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

2-[(2-amino-6-fluorophenyl)sulfonylamino]ethyl carbamate
CID 83202803
2-amino-N-(2,2-difluoroethyl)-6-fluorobenzenesulfonamide
CID 115405345
2-amino-6-fluoro-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 106324656
2-amino-6-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide
CID 79551282
N-(2-aminoethyl)-2,6-difluorobenzenesulfonamide
CID 43603529
2-amino-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 63238706
4-N-(3-methylsulfinylpropyl)benzene-1,4-disulfonamide
CID 115632032
2-amino-6-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 62058190
2,6-difluoro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide
CID 43606877
2,6-difluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 3847681
N-(3-aminopropyl)-2-bromo-6-fluorobenzenesulfonamide;hydrochloride
CID 86780627
2-amino-N-hexyl-6-methylbenzenesulfonamide
CID 61110838

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-(3-methylsulfinylpropyl)benzenesulfonamide?
The IUPAC name of 2-amino-6-fluoro-N-(3-methylsulfinylpropyl)benzenesulfonamide (CID 113487178) is 2-amino-6-fluoro-N-(3-methylsulfinylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-6-fluoro-N-(3-methylsulfinylpropyl)benzenesulfonamide?
The canonical SMILES for 2-amino-6-fluoro-N-(3-methylsulfinylpropyl)benzenesulfonamide is CS(=O)CCCNS(=O)(=O)c1c(N)cccc1F.
What is the InChIKey of 2-amino-6-fluoro-N-(3-methylsulfinylpropyl)benzenesulfonamide?
The InChIKey is LRIJMDPFHFZZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O3S2/c1-17(14)7-3-6-13-18(15,16)10-8(11)4-2-5-9(10)12/h2,4-5,13H,3,6-7,12H2,1H3.
What are the key properties of 2-amino-6-fluoro-N-(3-methylsulfinylpropyl)benzenesulfonamide?
2-amino-6-fluoro-N-(3-methylsulfinylpropyl)benzenesulfonamide has a molecular weight of 294.37 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-(3-methylsulfinylpropyl)benzenesulfonamide is sourced from PubChem (CID 113487178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).