N-[1-(2-fluorophenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide

C21H20FNO2S — CID 42841653

IUPACN-[1-(2-fluorophenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(N(C(C)c2ccccc2F)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C21H20FNO2S/c1-16-9-8-10-18(15-16)23(17(2)20-13-6-7-14-21(20)22)26(24,25)19-11-4-3-5-12-19/h3-15,17H,1-2H3
InChIKeyVYSLJVMVRTVLBI-UHFFFAOYSA-N
MW369.46 g/mol
LogP5.09
Rot. Bonds5

About N-[1-(2-fluorophenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide

N-[1-(2-fluorophenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide (PubChem CID 42841653) has the molecular formula C21H20FNO2S and a molecular weight of 369.46 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide
PubChem CID42841653
Molecular FormulaC21H20FNO2S
Molecular Weight369.46 g/mol
Exact Mass369.12
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(N(C(C)c2ccccc2F)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C21H20FNO2S/c1-16-9-8-10-18(15-16)23(17(2)20-13-6-7-14-21(20)22)26(24,25)19-11-4-3-5-12-19/h3-15,17H,1-2H3
InChIKeyVYSLJVMVRTVLBI-UHFFFAOYSA-N
XLogP5.09
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide (CID 42841653) is N-[1-(2-fluorophenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide is Cc1cccc(N(C(C)c2ccccc2F)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide?
The InChIKey is VYSLJVMVRTVLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO2S/c1-16-9-8-10-18(15-16)23(17(2)20-13-6-7-14-21(20)22)26(24,25)19-11-4-3-5-12-19/h3-15,17H,1-2H3.
What are the key properties of N-[1-(2-fluorophenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide?
N-[1-(2-fluorophenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide has a molecular weight of 369.46 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 42841653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).