4-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide

C21H19F2NO3S — CID 42841650

IUPAC4-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(N(C(C)c2ccccc2F)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H19F2NO3S/c1-15(20-5-3-4-6-21(20)23)24(17-9-11-18(27-2)12-10-17)28(25,26)19-13-7-16(22)8-14-19/h3-15H,1-2H3
InChIKeyUPDVXGKOQDPFRO-UHFFFAOYSA-N
MW403.45 g/mol
LogP4.93
Rot. Bonds6

About 4-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide

4-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide (PubChem CID 42841650) has the molecular formula C21H19F2NO3S and a molecular weight of 403.45 g/mol. Its IUPAC name is 4-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide
PubChem CID42841650
Molecular FormulaC21H19F2NO3S
Molecular Weight403.45 g/mol
Exact Mass403.11
IUPAC Name4-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(N(C(C)c2ccccc2F)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H19F2NO3S/c1-15(20-5-3-4-6-21(20)23)24(17-9-11-18(27-2)12-10-17)28(25,26)19-13-7-16(22)8-14-19/h3-15H,1-2H3
InChIKeyUPDVXGKOQDPFRO-UHFFFAOYSA-N
XLogP4.93
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(4-fluorophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 93207173
4-fluoro-N-[1-(4-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46022049
N-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)methanesulfonamide
CID 42841820
N-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 42841669
4-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-(4-methylphenyl)benzenesulfonamide
CID 93207194
N-(3-fluorophenyl)-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 46022772
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-fluoro-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 93207596
3-chloro-N-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 42842026
N-(3-fluorophenyl)-4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 93207337
N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 46023211
N-(4-chlorophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 93207406
4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 46014813

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide (CID 42841650) is 4-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide is COc1ccc(N(C(C)c2ccccc2F)S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide?
The InChIKey is UPDVXGKOQDPFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2NO3S/c1-15(20-5-3-4-6-21(20)23)24(17-9-11-18(27-2)12-10-17)28(25,26)19-13-7-16(22)8-14-19/h3-15H,1-2H3.
What are the key properties of 4-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide?
4-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide has a molecular weight of 403.45 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 42841650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).