N-(2-amino-5-fluorophenyl)-2-propan-2-yloxyethanesulfonamide

C11H17FN2O3S — CID 79594056

IUPACN-(2-amino-5-fluorophenyl)-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)Nc1cc(F)ccc1N
InChIInChI=1S/C11H17FN2O3S/c1-8(2)17-5-6-18(15,16)14-11-7-9(12)3-4-10(11)13/h3-4,7-8,14H,5-6,13H2,1-2H3
InChIKeySNBVTVAMNJZDFU-UHFFFAOYSA-N
MW276.33 g/mol
LogP1.57
Rot. Bonds6

About N-(2-amino-5-fluorophenyl)-2-propan-2-yloxyethanesulfonamide

N-(2-amino-5-fluorophenyl)-2-propan-2-yloxyethanesulfonamide (PubChem CID 79594056) has the molecular formula C11H17FN2O3S and a molecular weight of 276.33 g/mol. Its IUPAC name is N-(2-amino-5-fluorophenyl)-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-(2-amino-5-fluorophenyl)-2-propan-2-yloxyethanesulfonamide
PubChem CID79594056
Molecular FormulaC11H17FN2O3S
Molecular Weight276.33 g/mol
Exact Mass276.09
IUPAC NameN-(2-amino-5-fluorophenyl)-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)Nc1cc(F)ccc1N
InChIInChI=1S/C11H17FN2O3S/c1-8(2)17-5-6-18(15,16)14-11-7-9(12)3-4-10(11)13/h3-4,7-8,14H,5-6,13H2,1-2H3
InChIKeySNBVTVAMNJZDFU-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(aminomethyl)-4-fluorophenyl]-2-propan-2-yloxyethanesulfonamide
CID 82013391
5-fluoro-2-(2-propan-2-yloxyethylsulfonylamino)benzenecarbothioamide
CID 82015535
N-(2-amino-4-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide
CID 107697822
N-(4-amino-2-chlorophenyl)-2-propan-2-yloxyethanesulfonamide
CID 79593923
5-fluoro-2-(2-propan-2-yloxyethylsulfonyl)aniline
CID 81184691
N-(2-amino-6-fluorophenyl)-2-propan-2-yloxyethanesulfonamide
CID 81310210
N-(2-amino-5-fluorophenyl)-2-(2-propan-2-yloxyethoxy)acetamide
CID 43612006
N-(8-aminoquinolin-5-yl)-2-propan-2-yloxyethanesulfonamide
CID 104826554
N-[2-fluoro-5-(furan-2-yl)phenyl]-2-propan-2-yloxyethanesulfonamide
CID 71862931
2-methyl-3-(2-propan-2-yloxyethylsulfonylamino)benzenesulfonamide
CID 79593105
N-(2-amino-4-fluorophenyl)-2-methylsulfonylethanesulfonamide
CID 63245465
2-amino-4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104758427

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-fluorophenyl)-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-(2-amino-5-fluorophenyl)-2-propan-2-yloxyethanesulfonamide (CID 79594056) is N-(2-amino-5-fluorophenyl)-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-(2-amino-5-fluorophenyl)-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-(2-amino-5-fluorophenyl)-2-propan-2-yloxyethanesulfonamide is CC(C)OCCS(=O)(=O)Nc1cc(F)ccc1N.
What is the InChIKey of N-(2-amino-5-fluorophenyl)-2-propan-2-yloxyethanesulfonamide?
The InChIKey is SNBVTVAMNJZDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O3S/c1-8(2)17-5-6-18(15,16)14-11-7-9(12)3-4-10(11)13/h3-4,7-8,14H,5-6,13H2,1-2H3.
What are the key properties of N-(2-amino-5-fluorophenyl)-2-propan-2-yloxyethanesulfonamide?
N-(2-amino-5-fluorophenyl)-2-propan-2-yloxyethanesulfonamide has a molecular weight of 276.33 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-fluorophenyl)-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 79594056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).