1-(ethylamino)-3-(2-fluorophenyl)sulfonylpropan-2-ol

C11H16FNO3S — CID 113317924

IUPAC1-(ethylamino)-3-(2-fluorophenyl)sulfonylpropan-2-ol
SMILESCCNCC(O)CS(=O)(=O)c1ccccc1F
InChIInChI=1S/C11H16FNO3S/c1-2-13-7-9(14)8-17(15,16)11-6-4-3-5-10(11)12/h3-6,9,13-14H,2,7-8H2,1H3
InChIKeyOTDSEDOJMDELLR-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.57
Rot. Bonds6

About 1-(ethylamino)-3-(2-fluorophenyl)sulfonylpropan-2-ol

1-(ethylamino)-3-(2-fluorophenyl)sulfonylpropan-2-ol (PubChem CID 113317924) has the molecular formula C11H16FNO3S and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(ethylamino)-3-(2-fluorophenyl)sulfonylpropan-2-ol.

Molecular Properties

Compound Name1-(ethylamino)-3-(2-fluorophenyl)sulfonylpropan-2-ol
PubChem CID113317924
Molecular FormulaC11H16FNO3S
Molecular Weight261.32 g/mol
Exact Mass261.08
IUPAC Name1-(ethylamino)-3-(2-fluorophenyl)sulfonylpropan-2-ol
SMILESCCNCC(O)CS(=O)(=O)c1ccccc1F
InChIInChI=1S/C11H16FNO3S/c1-2-13-7-9(14)8-17(15,16)11-6-4-3-5-10(11)12/h3-6,9,13-14H,2,7-8H2,1H3
InChIKeyOTDSEDOJMDELLR-UHFFFAOYSA-N
XLogP0.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-difluorophenyl)sulfonyl-3-(propylamino)propan-2-ol
CID 115476595
1-(2-fluorophenyl)sulfonyl-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106993087
1-(2-fluorophenyl)sulfonyl-N-methylpentan-2-amine
CID 64645946
4-(2-fluorophenyl)sulfonyl-3-(methylamino)butan-1-ol
CID 64897786
1-(ethylamino)-3-(2-fluorophenyl)sulfinylpropan-2-ol
CID 115476910
2-(2-fluorophenyl)sulfonyl-N-pentan-3-ylacetamide
CID 47218676
1-(2-bromophenyl)sulfonyl-3-(propan-2-ylamino)propan-2-ol
CID 113317935
(2S)-1-(benzenesulfonyl)-3-(propylamino)propan-2-ol
CID 155698618
1-(ethylamino)-3-[(2-methylphenyl)methylsulfonyl]propan-2-ol
CID 115476752
3-amino-4-(2-fluorophenyl)sulfonylbutan-1-ol
CID 64897992
1-cyclopentyl-2-(2-fluorophenyl)sulfonyl-N-methylethanamine
CID 104753879
1,3-diethyl-2-[2-(2-fluorophenyl)sulfonylethyl]guanidine
CID 111179326

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(2-fluorophenyl)sulfonylpropan-2-ol?
The IUPAC name of 1-(ethylamino)-3-(2-fluorophenyl)sulfonylpropan-2-ol (CID 113317924) is 1-(ethylamino)-3-(2-fluorophenyl)sulfonylpropan-2-ol.
What is the SMILES notation for 1-(ethylamino)-3-(2-fluorophenyl)sulfonylpropan-2-ol?
The canonical SMILES for 1-(ethylamino)-3-(2-fluorophenyl)sulfonylpropan-2-ol is CCNCC(O)CS(=O)(=O)c1ccccc1F.
What is the InChIKey of 1-(ethylamino)-3-(2-fluorophenyl)sulfonylpropan-2-ol?
The InChIKey is OTDSEDOJMDELLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO3S/c1-2-13-7-9(14)8-17(15,16)11-6-4-3-5-10(11)12/h3-6,9,13-14H,2,7-8H2,1H3.
What are the key properties of 1-(ethylamino)-3-(2-fluorophenyl)sulfonylpropan-2-ol?
1-(ethylamino)-3-(2-fluorophenyl)sulfonylpropan-2-ol has a molecular weight of 261.32 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(2-fluorophenyl)sulfonylpropan-2-ol is sourced from PubChem (CID 113317924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).