N-[2-(aminomethyl)-4-fluorophenyl]-2-propan-2-yloxyethanesulfonamide

C12H19FN2O3S — CID 82013391

IUPACN-[2-(aminomethyl)-4-fluorophenyl]-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)Nc1ccc(F)cc1CN
InChIInChI=1S/C12H19FN2O3S/c1-9(2)18-5-6-19(16,17)15-12-4-3-11(13)7-10(12)8-14/h3-4,7,9,15H,5-6,8,14H2,1-2H3
InChIKeyMTWCMHYZLVRNTD-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.45
Rot. Bonds7

About N-[2-(aminomethyl)-4-fluorophenyl]-2-propan-2-yloxyethanesulfonamide

N-[2-(aminomethyl)-4-fluorophenyl]-2-propan-2-yloxyethanesulfonamide (PubChem CID 82013391) has the molecular formula C12H19FN2O3S and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[2-(aminomethyl)-4-fluorophenyl]-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-4-fluorophenyl]-2-propan-2-yloxyethanesulfonamide
PubChem CID82013391
Molecular FormulaC12H19FN2O3S
Molecular Weight290.36 g/mol
Exact Mass290.11
IUPAC NameN-[2-(aminomethyl)-4-fluorophenyl]-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)Nc1ccc(F)cc1CN
InChIInChI=1S/C12H19FN2O3S/c1-9(2)18-5-6-19(16,17)15-12-4-3-11(13)7-10(12)8-14/h3-4,7,9,15H,5-6,8,14H2,1-2H3
InChIKeyMTWCMHYZLVRNTD-UHFFFAOYSA-N
XLogP1.45
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-5-fluorophenyl)-2-propan-2-yloxyethanesulfonamide
CID 79594056
5-fluoro-2-(2-propan-2-yloxyethylsulfonylamino)benzenecarbothioamide
CID 82015535
N-(4-amino-2-chlorophenyl)-2-propan-2-yloxyethanesulfonamide
CID 79593923
N-[2-(aminomethyl)-4-fluorophenyl]-2-pyridin-4-ylethanesulfonamide
CID 82013705
N-(2-amino-4-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide
CID 107697822
N-[3-(aminomethyl)-4-ethoxyphenyl]-2-propan-2-yloxyethanesulfonamide
CID 79593302
N-(2-chloro-4-iodophenyl)-2-propan-2-yloxyethanesulfonamide
CID 103729090
N-[2-(ethylaminomethyl)phenyl]-2-propan-2-yloxyethanesulfonamide
CID 79594398
5-hydroxy-2-(2-propan-2-yloxyethylsulfonylamino)benzoic acid
CID 79594362
N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]-2-propan-2-yloxyethanesulfonamide
CID 81280127
N-[2-(aminomethyl)-4-fluorophenyl]cyclopropanesulfonamide
CID 82014016
N-[2-fluoro-5-(furan-2-yl)phenyl]-2-propan-2-yloxyethanesulfonamide
CID 71862931

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-4-fluorophenyl]-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-[2-(aminomethyl)-4-fluorophenyl]-2-propan-2-yloxyethanesulfonamide (CID 82013391) is N-[2-(aminomethyl)-4-fluorophenyl]-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-[2-(aminomethyl)-4-fluorophenyl]-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-[2-(aminomethyl)-4-fluorophenyl]-2-propan-2-yloxyethanesulfonamide is CC(C)OCCS(=O)(=O)Nc1ccc(F)cc1CN.
What is the InChIKey of N-[2-(aminomethyl)-4-fluorophenyl]-2-propan-2-yloxyethanesulfonamide?
The InChIKey is MTWCMHYZLVRNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O3S/c1-9(2)18-5-6-19(16,17)15-12-4-3-11(13)7-10(12)8-14/h3-4,7,9,15H,5-6,8,14H2,1-2H3.
What are the key properties of N-[2-(aminomethyl)-4-fluorophenyl]-2-propan-2-yloxyethanesulfonamide?
N-[2-(aminomethyl)-4-fluorophenyl]-2-propan-2-yloxyethanesulfonamide has a molecular weight of 290.36 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-4-fluorophenyl]-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 82013391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).