3-fluoro-4-[2-(oxan-2-yl)ethylamino]benzenesulfonamide

C13H19FN2O3S — CID 106000014

IUPAC3-fluoro-4-[2-(oxan-2-yl)ethylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NCCC2CCCCO2)c(F)c1
InChIInChI=1S/C13H19FN2O3S/c14-12-9-11(20(15,17)18)4-5-13(12)16-7-6-10-3-1-2-8-19-10/h4-5,9-10,16H,1-3,6-8H2,(H2,15,17,18)
InChIKeyVCISBYBNZVECQV-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.84
Rot. Bonds5

About 3-fluoro-4-[2-(oxan-2-yl)ethylamino]benzenesulfonamide

3-fluoro-4-[2-(oxan-2-yl)ethylamino]benzenesulfonamide (PubChem CID 106000014) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is 3-fluoro-4-[2-(oxan-2-yl)ethylamino]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-[2-(oxan-2-yl)ethylamino]benzenesulfonamide
PubChem CID106000014
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name3-fluoro-4-[2-(oxan-2-yl)ethylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NCCC2CCCCO2)c(F)c1
InChIInChI=1S/C13H19FN2O3S/c14-12-9-11(20(15,17)18)4-5-13(12)16-7-6-10-3-1-2-8-19-10/h4-5,9-10,16H,1-3,6-8H2,(H2,15,17,18)
InChIKeyVCISBYBNZVECQV-UHFFFAOYSA-N
XLogP1.84
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(oxan-2-yl)ethyl]-4-sulfamoylbenzamide
CID 103993185
3-fluoro-4-(propylamino)benzenesulfonamide
CID 60713095
3-fluoro-4-[(2-hydroxycyclohexyl)methylamino]benzenesulfonamide
CID 64911459
4-fluoro-2-nitro-N-[2-(oxan-2-yl)ethyl]aniline
CID 103990759
2-bromo-4-nitro-N-[2-(oxan-2-yl)ethyl]aniline
CID 103990617
2-bromo-5-fluoro-N-[2-(oxolan-2-yl)ethyl]aniline
CID 102975818
4-chloro-3-(oxolan-2-ylmethylamino)benzenesulfonamide
CID 82836345
4-bromo-5-fluoro-2-nitro-N-[2-(oxolan-2-yl)ethyl]aniline
CID 66109877
4-(2-ethoxyethylamino)-3-fluorobenzenesulfonamide
CID 60965986
4-chloro-5-fluoro-1-N-[2-(oxolan-2-yl)ethyl]benzene-1,2-diamine
CID 66079185
4-[(2-amino-1-cyclopentylethyl)amino]-3-fluorobenzenesulfonamide
CID 106738233
3-chloro-4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide
CID 63247341

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[2-(oxan-2-yl)ethylamino]benzenesulfonamide?
The IUPAC name of 3-fluoro-4-[2-(oxan-2-yl)ethylamino]benzenesulfonamide (CID 106000014) is 3-fluoro-4-[2-(oxan-2-yl)ethylamino]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-[2-(oxan-2-yl)ethylamino]benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-[2-(oxan-2-yl)ethylamino]benzenesulfonamide is NS(=O)(=O)c1ccc(NCCC2CCCCO2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[2-(oxan-2-yl)ethylamino]benzenesulfonamide?
The InChIKey is VCISBYBNZVECQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3S/c14-12-9-11(20(15,17)18)4-5-13(12)16-7-6-10-3-1-2-8-19-10/h4-5,9-10,16H,1-3,6-8H2,(H2,15,17,18).
What are the key properties of 3-fluoro-4-[2-(oxan-2-yl)ethylamino]benzenesulfonamide?
3-fluoro-4-[2-(oxan-2-yl)ethylamino]benzenesulfonamide has a molecular weight of 302.37 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[2-(oxan-2-yl)ethylamino]benzenesulfonamide is sourced from PubChem (CID 106000014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).