3-fluoro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide

C14H13F2NO2S — CID 18097170

IUPAC3-fluoro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C14H13F2NO2S/c15-12-4-1-3-11(9-12)7-8-17-20(18,19)14-6-2-5-13(16)10-14/h1-6,9-10,17H,7-8H2
InChIKeyIHUOIDSRMKOECN-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.49
Rot. Bonds5

About 3-fluoro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide

3-fluoro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide (PubChem CID 18097170) has the molecular formula C14H13F2NO2S and a molecular weight of 297.33 g/mol. Its IUPAC name is 3-fluoro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide
PubChem CID18097170
Molecular FormulaC14H13F2NO2S
Molecular Weight297.33 g/mol
Exact Mass297.06
IUPAC Name3-fluoro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C14H13F2NO2S/c15-12-4-1-3-11(9-12)7-8-17-20(18,19)14-6-2-5-13(16)10-14/h1-6,9-10,17H,7-8H2
InChIKeyIHUOIDSRMKOECN-UHFFFAOYSA-N
XLogP2.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 30170522
3-cyano-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide
CID 26545327
3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 25046873
N-[2-(3-fluorophenyl)ethyl]-4-hydrazinylbenzenesulfonamide
CID 43566343
N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-3-fluorobenzenesulfonamide
CID 6737244
3-fluoro-N-propylbenzenesulfonamide
CID 43212857
3-(benzenesulfonamido)-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 18118763
N-[2-(3-fluorophenyl)ethyl]-5-(4-fluorophenyl)sulfonyl-2-methylbenzenesulfonamide
CID 11979226
N-[2-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 897615
5-(benzenesulfonyl)-N-[2-(3-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 57430151
3-[(3-fluorophenyl)sulfonylamino]propanethioamide
CID 62666138
N-[[3-(bromomethyl)phenyl]methyl]-3-fluorobenzenesulfonamide
CID 114297989

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide (CID 18097170) is 3-fluoro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1cccc(F)c1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide?
The InChIKey is IHUOIDSRMKOECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO2S/c15-12-4-1-3-11(9-12)7-8-17-20(18,19)14-6-2-5-13(16)10-14/h1-6,9-10,17H,7-8H2.
What are the key properties of 3-fluoro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide?
3-fluoro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide has a molecular weight of 297.33 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 18097170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).