N-[2-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide

C14H13ClFNO2S — CID 897615

IUPACN-[2-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCCc1cccc(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C14H13ClFNO2S/c15-12-3-1-2-11(10-12)8-9-17-20(18,19)14-6-4-13(16)5-7-14/h1-7,10,17H,8-9H2
InChIKeyXDGDRCATZAIMNS-UHFFFAOYSA-N
MW313.78 g/mol
LogP3.00
Rot. Bonds5

About N-[2-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide

N-[2-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide (PubChem CID 897615) has the molecular formula C14H13ClFNO2S and a molecular weight of 313.78 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide
PubChem CID897615
Molecular FormulaC14H13ClFNO2S
Molecular Weight313.78 g/mol
Exact Mass313.03
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCCc1cccc(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C14H13ClFNO2S/c15-12-3-1-2-11(10-12)8-9-17-20(18,19)14-6-4-13(16)5-7-14/h1-7,10,17H,8-9H2
InChIKeyXDGDRCATZAIMNS-UHFFFAOYSA-N
XLogP3.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-4-fluorobenzenesulfonamide
CID 3291034
4-bromo-N-[2-(3-chlorophenyl)ethyl]-3-fluorobenzenesulfonamide
CID 107650102
N-[2-(3-chlorophenyl)ethyl]-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]acetamide
CID 113057110
N-[2-(3,4-dichlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 3716160
3-amino-4-bromo-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide
CID 115328936
N-[2-(3-chlorophenyl)ethyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 35309914
N-[2-(3-chlorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 46807280
3-fluoro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide
CID 18097170
2,4,5-trichloro-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide
CID 19680921
N-[2-(3-fluorophenyl)ethyl]-4-hydrazinylbenzenesulfonamide
CID 43566343
4-fluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 3765011
(3S)-N-[2-(3-chlorophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9188688

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide (CID 897615) is N-[2-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide is O=S(=O)(NCCc1cccc(Cl)c1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide?
The InChIKey is XDGDRCATZAIMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO2S/c15-12-3-1-2-11(10-12)8-9-17-20(18,19)14-6-4-13(16)5-7-14/h1-7,10,17H,8-9H2.
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide?
N-[2-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide has a molecular weight of 313.78 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 897615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).