4-amino-3-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide

C11H17FN2O3S — CID 67202441

IUPAC4-amino-3-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
SMILESCC(C)OCCNS(=O)(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C11H17FN2O3S/c1-8(2)17-6-5-14-18(15,16)9-3-4-11(13)10(12)7-9/h3-4,7-8,14H,5-6,13H2,1-2H3
InChIKeyIIGCVYCJUBQAEG-UHFFFAOYSA-N
MW276.33 g/mol
LogP1.11
Rot. Bonds6

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

4-amino-3-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide (PubChem CID 67202441) has the molecular formula C11H17FN2O3S and a molecular weight of 276.33 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
PubChem CID67202441
Molecular FormulaC11H17FN2O3S
Molecular Weight276.33 g/mol
Exact Mass276.09
IUPAC Name4-amino-3-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
SMILESCC(C)OCCNS(=O)(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C11H17FN2O3S/c1-8(2)17-6-5-14-18(15,16)9-3-4-11(13)10(12)7-9/h3-4,7-8,14H,5-6,13H2,1-2H3
InChIKeyIIGCVYCJUBQAEG-UHFFFAOYSA-N
XLogP1.11
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 51.11
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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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The IUPAC name of 4-amino-3-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide (CID 67202441) is 4-amino-3-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide is CC(C)OCCNS(=O)(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 4-amino-3-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The InChIKey is IIGCVYCJUBQAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O3S/c1-8(2)17-6-5-14-18(15,16)9-3-4-11(13)10(12)7-9/h3-4,7-8,14H,5-6,13H2,1-2H3.
What are the key properties of 4-amino-3-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
4-amino-3-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide has a molecular weight of 276.33 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide is sourced from PubChem (CID 67202441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).