5-amino-N-butan-2-yl-2-fluorobenzenesulfonamide

C10H15FN2O2S — CID 43255365

IUPAC5-amino-N-butan-2-yl-2-fluorobenzenesulfonamide
SMILESCCC(C)NS(=O)(=O)c1cc(N)ccc1F
InChIInChI=1S/C10H15FN2O2S/c1-3-7(2)13-16(14,15)10-6-8(12)4-5-9(10)11/h4-7,13H,3,12H2,1-2H3
InChIKeyBKKTZNMPOFCMJE-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.48
Rot. Bonds4

About 5-amino-N-butan-2-yl-2-fluorobenzenesulfonamide

5-amino-N-butan-2-yl-2-fluorobenzenesulfonamide (PubChem CID 43255365) has the molecular formula C10H15FN2O2S and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-amino-N-butan-2-yl-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-butan-2-yl-2-fluorobenzenesulfonamide
PubChem CID43255365
Molecular FormulaC10H15FN2O2S
Molecular Weight246.31 g/mol
Exact Mass246.08
IUPAC Name5-amino-N-butan-2-yl-2-fluorobenzenesulfonamide
SMILESCCC(C)NS(=O)(=O)c1cc(N)ccc1F
InChIInChI=1S/C10H15FN2O2S/c1-3-7(2)13-16(14,15)10-6-8(12)4-5-9(10)11/h4-7,13H,3,12H2,1-2H3
InChIKeyBKKTZNMPOFCMJE-UHFFFAOYSA-N
XLogP1.48
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-fluoro-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 54949598
5-amino-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzenesulfonamide
CID 113498915
5-amino-2-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081189
5-amino-2-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43498706
4-amino-N-butan-2-yl-2-cyanobenzenesulfonamide
CID 43255660
1-N-butan-2-yl-2-fluorobenzene-1,4-disulfonamide
CID 47358633
5-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64928220
N-[(2R)-1-aminopropan-2-yl]-2,5-difluorobenzenesulfonamide
CID 104873280
3-acetyl-N-[(2R)-butan-2-yl]-4-fluorobenzenesulfonamide
CID 118684025
5-amino-2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 61126243
4-bromo-N-[(2R)-butan-2-yl]-2-fluorobenzenesulfonamide
CID 95246466
2-fluoro-5-methylsulfonyl-N-pentan-2-ylbenzenesulfonamide
CID 43454734

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-butan-2-yl-2-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-N-butan-2-yl-2-fluorobenzenesulfonamide (CID 43255365) is 5-amino-N-butan-2-yl-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-N-butan-2-yl-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-N-butan-2-yl-2-fluorobenzenesulfonamide is CCC(C)NS(=O)(=O)c1cc(N)ccc1F.
What is the InChIKey of 5-amino-N-butan-2-yl-2-fluorobenzenesulfonamide?
The InChIKey is BKKTZNMPOFCMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O2S/c1-3-7(2)13-16(14,15)10-6-8(12)4-5-9(10)11/h4-7,13H,3,12H2,1-2H3.
What are the key properties of 5-amino-N-butan-2-yl-2-fluorobenzenesulfonamide?
5-amino-N-butan-2-yl-2-fluorobenzenesulfonamide has a molecular weight of 246.31 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-butan-2-yl-2-fluorobenzenesulfonamide is sourced from PubChem (CID 43255365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).