3-[1-(2,6-difluoroanilino)ethyl]benzenesulfonamide

C14H14F2N2O2S — CID 43773070

IUPAC3-[1-(2,6-difluoroanilino)ethyl]benzenesulfonamide
SMILESCC(Nc1c(F)cccc1F)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C14H14F2N2O2S/c1-9(18-14-12(15)6-3-7-13(14)16)10-4-2-5-11(8-10)21(17,19)20/h2-9,18H,1H3,(H2,17,19,20)
InChIKeyMRYKEJCKIWWFAL-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.79
Rot. Bonds4

About 3-[1-(2,6-difluoroanilino)ethyl]benzenesulfonamide

3-[1-(2,6-difluoroanilino)ethyl]benzenesulfonamide (PubChem CID 43773070) has the molecular formula C14H14F2N2O2S and a molecular weight of 312.34 g/mol. Its IUPAC name is 3-[1-(2,6-difluoroanilino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[1-(2,6-difluoroanilino)ethyl]benzenesulfonamide
PubChem CID43773070
Molecular FormulaC14H14F2N2O2S
Molecular Weight312.34 g/mol
Exact Mass312.07
IUPAC Name3-[1-(2,6-difluoroanilino)ethyl]benzenesulfonamide
SMILESCC(Nc1c(F)cccc1F)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C14H14F2N2O2S/c1-9(18-14-12(15)6-3-7-13(14)16)10-4-2-5-11(8-10)21(17,19)20/h2-9,18H,1H3,(H2,17,19,20)
InChIKeyMRYKEJCKIWWFAL-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-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 43232021
3-[1-[(5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide
CID 71978290
3-[1-[[(1R)-1-phenylethyl]amino]ethyl]benzenesulfonamide
CID 81351259
3-[1-[(4-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 51249256
3-[1-(3,4-dimethylanilino)ethyl]benzenesulfonamide
CID 43761911
3,5-difluoro-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 51278324
3-[1-(2,6-difluorophenyl)ethylamino]benzenesulfonamide
CID 43098562
3-[1-(3-ethylanilino)ethyl]benzenesulfonamide
CID 43765077
3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506958
3-[1-(4-nitroanilino)ethyl]benzenesulfonamide
CID 78814728
3-[1-(3-ethynylanilino)ethyl]benzenesulfonamide
CID 43755444

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,6-difluoroanilino)ethyl]benzenesulfonamide?
The IUPAC name of 3-[1-(2,6-difluoroanilino)ethyl]benzenesulfonamide (CID 43773070) is 3-[1-(2,6-difluoroanilino)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-[1-(2,6-difluoroanilino)ethyl]benzenesulfonamide?
The canonical SMILES for 3-[1-(2,6-difluoroanilino)ethyl]benzenesulfonamide is CC(Nc1c(F)cccc1F)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-[1-(2,6-difluoroanilino)ethyl]benzenesulfonamide?
The InChIKey is MRYKEJCKIWWFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2S/c1-9(18-14-12(15)6-3-7-13(14)16)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-difluoroanilino)ethyl]benzenesulfonamide?
3-[1-(2,6-difluoroanilino)ethyl]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-difluoroanilino)ethyl]benzenesulfonamide is sourced from PubChem (CID 43773070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).