4-(2-fluorophenyl)sulfonyl-3-(methylamino)butan-1-ol

C11H16FNO3S — CID 64897786

IUPAC4-(2-fluorophenyl)sulfonyl-3-(methylamino)butan-1-ol
SMILESCNC(CCO)CS(=O)(=O)c1ccccc1F
InChIInChI=1S/C11H16FNO3S/c1-13-9(6-7-14)8-17(15,16)11-5-3-2-4-10(11)12/h2-5,9,13-14H,6-8H2,1H3
InChIKeyLKGLWEMQPZNQOR-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.57
Rot. Bonds6

About 4-(2-fluorophenyl)sulfonyl-3-(methylamino)butan-1-ol

4-(2-fluorophenyl)sulfonyl-3-(methylamino)butan-1-ol (PubChem CID 64897786) has the molecular formula C11H16FNO3S and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-(2-fluorophenyl)sulfonyl-3-(methylamino)butan-1-ol.

Molecular Properties

Compound Name4-(2-fluorophenyl)sulfonyl-3-(methylamino)butan-1-ol
PubChem CID64897786
Molecular FormulaC11H16FNO3S
Molecular Weight261.32 g/mol
Exact Mass261.08
IUPAC Name4-(2-fluorophenyl)sulfonyl-3-(methylamino)butan-1-ol
SMILESCNC(CCO)CS(=O)(=O)c1ccccc1F
InChIInChI=1S/C11H16FNO3S/c1-13-9(6-7-14)8-17(15,16)11-5-3-2-4-10(11)12/h2-5,9,13-14H,6-8H2,1H3
InChIKeyLKGLWEMQPZNQOR-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-fluorophenyl)sulfonyl-N-methylpentan-2-amine
CID 64645946
3-amino-4-(2-fluorophenyl)sulfonylbutan-1-ol
CID 64897992
4-(2,5-dimethylphenyl)sulfonyl-3-(methylamino)butan-1-ol
CID 64898403
1-cyclopentyl-2-(2-fluorophenyl)sulfonyl-N-methylethanamine
CID 104753879
2-(2-fluorophenyl)sulfonyl-N-pentan-3-ylacetamide
CID 47218676
1-(ethylamino)-3-(2-fluorophenyl)sulfonylpropan-2-ol
CID 113317924
4-anilino-3-(methylamino)butan-1-ol
CID 13023607
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-fluorobenzenesulfonamide
CID 114008662
4-(2-fluorophenyl)sulfonyl-N-methylpentan-2-amine
CID 64703577
4-(2-chlorophenyl)sulfonyl-3-methylbutan-1-ol
CID 71317728
3-amino-4-(2-methylphenyl)sulfonylbutan-1-ol
CID 64899074
1-(2-fluorophenyl)sulfonyl-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106993087

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)sulfonyl-3-(methylamino)butan-1-ol?
The IUPAC name of 4-(2-fluorophenyl)sulfonyl-3-(methylamino)butan-1-ol (CID 64897786) is 4-(2-fluorophenyl)sulfonyl-3-(methylamino)butan-1-ol.
What is the SMILES notation for 4-(2-fluorophenyl)sulfonyl-3-(methylamino)butan-1-ol?
The canonical SMILES for 4-(2-fluorophenyl)sulfonyl-3-(methylamino)butan-1-ol is CNC(CCO)CS(=O)(=O)c1ccccc1F.
What is the InChIKey of 4-(2-fluorophenyl)sulfonyl-3-(methylamino)butan-1-ol?
The InChIKey is LKGLWEMQPZNQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO3S/c1-13-9(6-7-14)8-17(15,16)11-5-3-2-4-10(11)12/h2-5,9,13-14H,6-8H2,1H3.
What are the key properties of 4-(2-fluorophenyl)sulfonyl-3-(methylamino)butan-1-ol?
4-(2-fluorophenyl)sulfonyl-3-(methylamino)butan-1-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 4-(2-fluorophenyl)sulfonyl-3-(methylamino)butan-1-ol is sourced from PubChem (CID 64897786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).