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

C11H17FN2O3S — CID 104758427

IUPAC2-amino-4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
SMILESCC(C)OCCNS(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C11H17FN2O3S/c1-8(2)17-6-5-14-18(15,16)11-4-3-9(12)7-10(11)13/h3-4,7-8,14H,5-6,13H2,1-2H3
InChIKeySIXIGHWABFRNHF-UHFFFAOYSA-N
MW276.33 g/mol
LogP1.11
Rot. Bonds6

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

2-amino-4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide (PubChem CID 104758427) has the molecular formula C11H17FN2O3S and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
PubChem CID104758427
Molecular FormulaC11H17FN2O3S
Molecular Weight276.33 g/mol
Exact Mass276.09
IUPAC Name2-amino-4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
SMILESCC(C)OCCNS(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C11H17FN2O3S/c1-8(2)17-6-5-14-18(15,16)11-4-3-9(12)7-10(11)13/h3-4,7-8,14H,5-6,13H2,1-2H3
InChIKeySIXIGHWABFRNHF-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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Related Compounds

5-fluoro-2-(2-propan-2-yloxyethylsulfonyl)aniline
CID 81184691
4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 110418282
2-amino-N-(2,3-dimethylbutyl)-4-fluorobenzenesulfonamide
CID 64568404
2-amino-4-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102903293
4-amino-2-methoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104758400
2-amino-4-fluoro-N-(5-hydroxy-4-methylpentyl)benzenesulfonamide
CID 106153098
3-amino-5-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104758401
5-amino-4-bromo-2-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 114626119
4-(ethylaminomethyl)-2-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 106077617
2-amino-N-(2,2-dimethylbutyl)-4-fluorobenzenesulfonamide
CID 103460021
5-fluoro-2-(2-methylpropylsulfonyl)aniline
CID 81185051
5-amino-2-ethoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104762819

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide (CID 104758427) is 2-amino-4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide is CC(C)OCCNS(=O)(=O)c1ccc(F)cc1N.
What is the InChIKey of 2-amino-4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The InChIKey is SIXIGHWABFRNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O3S/c1-8(2)17-6-5-14-18(15,16)11-4-3-9(12)7-10(11)13/h3-4,7-8,14H,5-6,13H2,1-2H3.
What are the key properties of 2-amino-4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
2-amino-4-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 2-amino-4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide is sourced from PubChem (CID 104758427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).