N-(4-ethylphenyl)-3-(4-fluorophenyl)benzenesulfonamide

C20H18FNO2S — CID 71211560

IUPACN-(4-ethylphenyl)-3-(4-fluorophenyl)benzenesulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2cccc(-c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C20H18FNO2S/c1-2-15-6-12-19(13-7-15)22-25(23,24)20-5-3-4-17(14-20)16-8-10-18(21)11-9-16/h3-14,22H,2H2,1H3
InChIKeyJCCNPNIRSNXZRH-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.86
Rot. Bonds5

About N-(4-ethylphenyl)-3-(4-fluorophenyl)benzenesulfonamide

N-(4-ethylphenyl)-3-(4-fluorophenyl)benzenesulfonamide (PubChem CID 71211560) has the molecular formula C20H18FNO2S and a molecular weight of 355.43 g/mol. Its IUPAC name is N-(4-ethylphenyl)-3-(4-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-3-(4-fluorophenyl)benzenesulfonamide
PubChem CID71211560
Molecular FormulaC20H18FNO2S
Molecular Weight355.43 g/mol
Exact Mass355.10
IUPAC NameN-(4-ethylphenyl)-3-(4-fluorophenyl)benzenesulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2cccc(-c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C20H18FNO2S/c1-2-15-6-12-19(13-7-15)22-25(23,24)20-5-3-4-17(14-20)16-8-10-18(21)11-9-16/h3-14,22H,2H2,1H3
InChIKeyJCCNPNIRSNXZRH-UHFFFAOYSA-N
XLogP4.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-ethylphenyl)-3-[3-[(4-ethylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 160503977
3-N-(4-ethylphenyl)benzene-1,3-disulfonamide
CID 31065784
N-(4-fluorophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106061658
N-[4-(bromomethyl)phenyl]-3-fluorobenzenesulfonamide
CID 114296663
3-(4-fluorophenyl)-N-(1H-indol-6-yl)benzenesulfonamide
CID 91210071
N,3-diphenylbenzenesulfonamide
CID 54513984
N-[4-(2-bromoethyl)phenyl]-3-fluorobenzenesulfonamide
CID 114296385
N-[4-(anilinomethylamino)-2-methoxyphenyl]-3-(4-fluorophenyl)benzenesulfonamide
CID 91546531
N-[4-(dimethylamino)phenyl]-3-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 11165024
4-ethyl-N-(4-iodophenyl)benzenesulfonamide
CID 1305687
2-[[3-(4-fluorophenyl)phenyl]sulfonylamino]benzoic acid
CID 123387963
[3-(4-fluorophenyl)phenyl]sulfonylazanide
CID 143427980

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-3-(4-fluorophenyl)benzenesulfonamide?
The IUPAC name of N-(4-ethylphenyl)-3-(4-fluorophenyl)benzenesulfonamide (CID 71211560) is N-(4-ethylphenyl)-3-(4-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for N-(4-ethylphenyl)-3-(4-fluorophenyl)benzenesulfonamide?
The canonical SMILES for N-(4-ethylphenyl)-3-(4-fluorophenyl)benzenesulfonamide is CCc1ccc(NS(=O)(=O)c2cccc(-c3ccc(F)cc3)c2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-3-(4-fluorophenyl)benzenesulfonamide?
The InChIKey is JCCNPNIRSNXZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO2S/c1-2-15-6-12-19(13-7-15)22-25(23,24)20-5-3-4-17(14-20)16-8-10-18(21)11-9-16/h3-14,22H,2H2,1H3.
What are the key properties of N-(4-ethylphenyl)-3-(4-fluorophenyl)benzenesulfonamide?
N-(4-ethylphenyl)-3-(4-fluorophenyl)benzenesulfonamide has a molecular weight of 355.43 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-3-(4-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 71211560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).