3-N-[(1S)-1-(4-fluorophenyl)ethyl]benzene-1,3-disulfonamide

C14H15FN2O4S2 — CID 30286902

IUPAC3-N-[(1S)-1-(4-fluorophenyl)ethyl]benzene-1,3-disulfonamide
SMILESC[C@H](NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)c1ccc(F)cc1
InChIInChI=1S/C14H15FN2O4S2/c1-10(11-5-7-12(15)8-6-11)17-23(20,21)14-4-2-3-13(9-14)22(16,18)19/h2-10,17H,1H3,(H2,16,18,19)/t10-/m0/s1
InChIKeyRBHLSWHZOFMYIC-JTQLQIEISA-N
MW358.42 g/mol
LogP1.51
Rot. Bonds5

About 3-N-[(1S)-1-(4-fluorophenyl)ethyl]benzene-1,3-disulfonamide

3-N-[(1S)-1-(4-fluorophenyl)ethyl]benzene-1,3-disulfonamide (PubChem CID 30286902) has the molecular formula C14H15FN2O4S2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 3-N-[(1S)-1-(4-fluorophenyl)ethyl]benzene-1,3-disulfonamide.

Molecular Properties

Compound Name3-N-[(1S)-1-(4-fluorophenyl)ethyl]benzene-1,3-disulfonamide
PubChem CID30286902
Molecular FormulaC14H15FN2O4S2
Molecular Weight358.42 g/mol
Exact Mass358.05
IUPAC Name3-N-[(1S)-1-(4-fluorophenyl)ethyl]benzene-1,3-disulfonamide
SMILESC[C@H](NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)c1ccc(F)cc1
InChIInChI=1S/C14H15FN2O4S2/c1-10(11-5-7-12(15)8-6-11)17-23(20,21)14-4-2-3-13(9-14)22(16,18)19/h2-10,17H,1H3,(H2,16,18,19)/t10-/m0/s1
InChIKeyRBHLSWHZOFMYIC-JTQLQIEISA-N
XLogP1.51
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[(4-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 51249256
3,5-difluoro-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 51278324
N-[1-(4-aminophenyl)ethyl]-3-fluorobenzenesulfonamide
CID 43297947
4-fluoro-N-[1-(4-phenylphenyl)ethyl]benzenesulfonamide
CID 171777388
4-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 7937746
3-amino-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 30079896
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 28958747
3-N-[1-(1-benzofuran-2-yl)ethyl]benzene-1,3-disulfonamide
CID 86916872
3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 2423667
3-hydroxy-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 81259142
2,3,5,6-tetramethyl-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 51249257
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 81349529

Frequently Asked Questions

What is the IUPAC name of 3-N-[(1S)-1-(4-fluorophenyl)ethyl]benzene-1,3-disulfonamide?
The IUPAC name of 3-N-[(1S)-1-(4-fluorophenyl)ethyl]benzene-1,3-disulfonamide (CID 30286902) is 3-N-[(1S)-1-(4-fluorophenyl)ethyl]benzene-1,3-disulfonamide.
What is the SMILES notation for 3-N-[(1S)-1-(4-fluorophenyl)ethyl]benzene-1,3-disulfonamide?
The canonical SMILES for 3-N-[(1S)-1-(4-fluorophenyl)ethyl]benzene-1,3-disulfonamide is C[C@H](NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)c1ccc(F)cc1.
What is the InChIKey of 3-N-[(1S)-1-(4-fluorophenyl)ethyl]benzene-1,3-disulfonamide?
The InChIKey is RBHLSWHZOFMYIC-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15FN2O4S2/c1-10(11-5-7-12(15)8-6-11)17-23(20,21)14-4-2-3-13(9-14)22(16,18)19/h2-10,17H,1H3,(H2,16,18,19)/t10-/m0/s1.
What are the key properties of 3-N-[(1S)-1-(4-fluorophenyl)ethyl]benzene-1,3-disulfonamide?
3-N-[(1S)-1-(4-fluorophenyl)ethyl]benzene-1,3-disulfonamide has a molecular weight of 358.42 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(1S)-1-(4-fluorophenyl)ethyl]benzene-1,3-disulfonamide is sourced from PubChem (CID 30286902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).