3-[1-(2,6-difluorophenyl)ethylamino]benzenesulfonamide

C14H14F2N2O2S — CID 43098562

IUPAC3-[1-(2,6-difluorophenyl)ethylamino]benzenesulfonamide
SMILESCC(Nc1cccc(S(N)(=O)=O)c1)c1c(F)cccc1F
InChIInChI=1S/C14H14F2N2O2S/c1-9(14-12(15)6-3-7-13(14)16)18-10-4-2-5-11(8-10)21(17,19)20/h2-9,18H,1H3,(H2,17,19,20)
InChIKeyVYURLIZOWBPUIV-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.79
Rot. Bonds4

About 3-[1-(2,6-difluorophenyl)ethylamino]benzenesulfonamide

3-[1-(2,6-difluorophenyl)ethylamino]benzenesulfonamide (PubChem CID 43098562) has the molecular formula C14H14F2N2O2S and a molecular weight of 312.34 g/mol. Its IUPAC name is 3-[1-(2,6-difluorophenyl)ethylamino]benzenesulfonamide.

Molecular Properties

Compound Name3-[1-(2,6-difluorophenyl)ethylamino]benzenesulfonamide
PubChem CID43098562
Molecular FormulaC14H14F2N2O2S
Molecular Weight312.34 g/mol
Exact Mass312.07
IUPAC Name3-[1-(2,6-difluorophenyl)ethylamino]benzenesulfonamide
SMILESCC(Nc1cccc(S(N)(=O)=O)c1)c1c(F)cccc1F
InChIInChI=1S/C14H14F2N2O2S/c1-9(14-12(15)6-3-7-13(14)16)18-10-4-2-5-11(8-10)21(17,19)20/h2-9,18H,1H3,(H2,17,19,20)
InChIKeyVYURLIZOWBPUIV-UHFFFAOYSA-N
XLogP2.79
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(3-fluoroanilino)ethyl]benzenesulfonamide
CID 43762132
3-(1-pyridin-4-ylethylamino)benzenesulfonamide
CID 43193565
3-[1-(4-bromophenyl)ethylamino]benzenesulfonamide
CID 43102327
3-[1-(2,6-difluoroanilino)ethyl]benzenesulfonamide
CID 43773070
2-[1-(3-methylsulfonylanilino)ethyl]benzene-1,3-diol
CID 107710778
3-(1-pyridin-3-ylethylamino)benzenesulfonamide
CID 43193566
N-[1-(2,6-difluorophenyl)ethyl]-3-methylsulfanylaniline
CID 43191040
3-[(2-methyl-1-phenylpropyl)amino]benzenesulfonamide
CID 43761251
3-[[(2R)-1-(3,4-difluorophenoxy)propan-2-yl]amino]benzenesulfonamide
CID 100627300
3-[1-(3-ethylanilino)ethyl]benzenesulfonamide
CID 43765077
3-[1-(3-ethynylanilino)ethyl]benzenesulfonamide
CID 43755444
3-[1-(3,4-dimethylanilino)ethyl]benzenesulfonamide
CID 43761911

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,6-difluorophenyl)ethylamino]benzenesulfonamide?
The IUPAC name of 3-[1-(2,6-difluorophenyl)ethylamino]benzenesulfonamide (CID 43098562) is 3-[1-(2,6-difluorophenyl)ethylamino]benzenesulfonamide.
What is the SMILES notation for 3-[1-(2,6-difluorophenyl)ethylamino]benzenesulfonamide?
The canonical SMILES for 3-[1-(2,6-difluorophenyl)ethylamino]benzenesulfonamide is CC(Nc1cccc(S(N)(=O)=O)c1)c1c(F)cccc1F.
What is the InChIKey of 3-[1-(2,6-difluorophenyl)ethylamino]benzenesulfonamide?
The InChIKey is VYURLIZOWBPUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2S/c1-9(14-12(15)6-3-7-13(14)16)18-10-4-2-5-11(8-10)21(17,19)20/h2-9,18H,1H3,(H2,17,19,20).
What are the key properties of 3-[1-(2,6-difluorophenyl)ethylamino]benzenesulfonamide?
3-[1-(2,6-difluorophenyl)ethylamino]benzenesulfonamide has a molecular weight of 312.34 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,6-difluorophenyl)ethylamino]benzenesulfonamide is sourced from PubChem (CID 43098562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).