2-amino-1-phenylpropane-1-sulfonyl fluoride

C9H12FNO2S — CID 87118125

IUPAC2-amino-1-phenylpropane-1-sulfonyl fluoride
SMILESCC(N)C(c1ccccc1)S(=O)(=O)F
InChIInChI=1S/C9H12FNO2S/c1-7(11)9(14(10,12)13)8-5-3-2-4-6-8/h2-7,9H,11H2,1H3
InChIKeyFKXDRTCHSAMYNT-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.37
Rot. Bonds3

About 2-amino-1-phenylpropane-1-sulfonyl fluoride

2-amino-1-phenylpropane-1-sulfonyl fluoride (PubChem CID 87118125) has the molecular formula C9H12FNO2S and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-amino-1-phenylpropane-1-sulfonyl fluoride.

Molecular Properties

Compound Name2-amino-1-phenylpropane-1-sulfonyl fluoride
PubChem CID87118125
Molecular FormulaC9H12FNO2S
Molecular Weight217.27 g/mol
Exact Mass217.06
IUPAC Name2-amino-1-phenylpropane-1-sulfonyl fluoride
SMILESCC(N)C(c1ccccc1)S(=O)(=O)F
InChIInChI=1S/C9H12FNO2S/c1-7(11)9(14(10,12)13)8-5-3-2-4-6-8/h2-7,9H,11H2,1H3
InChIKeyFKXDRTCHSAMYNT-UHFFFAOYSA-N
XLogP1.37
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-2-amino-1-phenylpropane-1-sulfonic acid
CID 96955814
(1R,2R)-2-amino-1-phenylpropane-1-sulfonic acid
CID 50914072
2-methylsulfonyl-1,2-diphenylethanamine
CID 55112040
(1S,2R)-2-amino-1-phenylpropan-1-ol
CID 26934
[(1S,2R)-2-amino-1-sulfosulfanylpropyl]benzene
CID 101118668
(1S,2R)-2-amino-1-phenylpropan-1-ol;formic acid
CID 118541105
(1R,2S)-N,N,N',N'-tetramethyl-1,2-diphenylethane-1,2-disulfonamide
CID 92524263
CID 174377533
CID 174377533
ethane;(1R)-1-phenylethanamine
CID 142977390
[(1S)-2-amino-1-phenylpropyl] formate
CID 118541108
phenylmethanediamine;sulfuric acid
CID 173298028
1-bromo-1-phenylpropan-2-amine
CID 12709385

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-phenylpropane-1-sulfonyl fluoride?
The IUPAC name of 2-amino-1-phenylpropane-1-sulfonyl fluoride (CID 87118125) is 2-amino-1-phenylpropane-1-sulfonyl fluoride.
What is the SMILES notation for 2-amino-1-phenylpropane-1-sulfonyl fluoride?
The canonical SMILES for 2-amino-1-phenylpropane-1-sulfonyl fluoride is CC(N)C(c1ccccc1)S(=O)(=O)F.
What is the InChIKey of 2-amino-1-phenylpropane-1-sulfonyl fluoride?
The InChIKey is FKXDRTCHSAMYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2S/c1-7(11)9(14(10,12)13)8-5-3-2-4-6-8/h2-7,9H,11H2,1H3.
What are the key properties of 2-amino-1-phenylpropane-1-sulfonyl fluoride?
2-amino-1-phenylpropane-1-sulfonyl fluoride has a molecular weight of 217.27 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-phenylpropane-1-sulfonyl fluoride is sourced from PubChem (CID 87118125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).