3-[1-(3-fluoroanilino)ethyl]benzenesulfonamide

C14H15FN2O2S — CID 43762132

IUPAC3-[1-(3-fluoroanilino)ethyl]benzenesulfonamide
SMILESCC(Nc1cccc(F)c1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C14H15FN2O2S/c1-10(17-13-6-3-5-12(15)9-13)11-4-2-7-14(8-11)20(16,18)19/h2-10,17H,1H3,(H2,16,18,19)
InChIKeyPMWVGURLIFUSRC-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.65
Rot. Bonds4

About 3-[1-(3-fluoroanilino)ethyl]benzenesulfonamide

3-[1-(3-fluoroanilino)ethyl]benzenesulfonamide (PubChem CID 43762132) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[1-(3-fluoroanilino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[1-(3-fluoroanilino)ethyl]benzenesulfonamide
PubChem CID43762132
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name3-[1-(3-fluoroanilino)ethyl]benzenesulfonamide
SMILESCC(Nc1cccc(F)c1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C14H15FN2O2S/c1-10(17-13-6-3-5-12(15)9-13)11-4-2-7-14(8-11)20(16,18)19/h2-10,17H,1H3,(H2,16,18,19)
InChIKeyPMWVGURLIFUSRC-UHFFFAOYSA-N
XLogP2.65
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1R)-1-(3-fluoroanilino)ethyl]-N-methylbenzenesulfonamide
CID 97337885
3-[1-(3-ethylanilino)ethyl]benzenesulfonamide
CID 43765077
3-[1-(3,4-dimethylanilino)ethyl]benzenesulfonamide
CID 43761911
3-[1-(2,6-difluoroanilino)ethyl]benzenesulfonamide
CID 43773070
3-[1-(3-ethynylanilino)ethyl]benzenesulfonamide
CID 43755444
3-[1-(2,6-difluorophenyl)ethylamino]benzenesulfonamide
CID 43098562
3-(1-pyridin-4-ylethylamino)benzenesulfonamide
CID 43193565
3-[1-(4-bromophenyl)ethylamino]benzenesulfonamide
CID 43102327
3-(1-pyridin-3-ylethylamino)benzenesulfonamide
CID 43193566
3,5-difluoro-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 51278324
3-[1-[(4-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 51249256
N-[1-(3-chlorophenyl)ethyl]-3-fluoroaniline
CID 43104012

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-fluoroanilino)ethyl]benzenesulfonamide?
The IUPAC name of 3-[1-(3-fluoroanilino)ethyl]benzenesulfonamide (CID 43762132) is 3-[1-(3-fluoroanilino)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-[1-(3-fluoroanilino)ethyl]benzenesulfonamide?
The canonical SMILES for 3-[1-(3-fluoroanilino)ethyl]benzenesulfonamide is CC(Nc1cccc(F)c1)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-[1-(3-fluoroanilino)ethyl]benzenesulfonamide?
The InChIKey is PMWVGURLIFUSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-10(17-13-6-3-5-12(15)9-13)11-4-2-7-14(8-11)20(16,18)19/h2-10,17H,1H3,(H2,16,18,19).
What are the key properties of 3-[1-(3-fluoroanilino)ethyl]benzenesulfonamide?
3-[1-(3-fluoroanilino)ethyl]benzenesulfonamide has a molecular weight of 294.35 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-fluoroanilino)ethyl]benzenesulfonamide is sourced from PubChem (CID 43762132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).