N-[1-(3-chlorophenyl)ethyl]-1-(2-fluorophenyl)methanesulfonamide

C15H15ClFNO2S — CID 51133226

IUPACN-[1-(3-chlorophenyl)ethyl]-1-(2-fluorophenyl)methanesulfonamide
SMILESCC(NS(=O)(=O)Cc1ccccc1F)c1cccc(Cl)c1
InChIInChI=1S/C15H15ClFNO2S/c1-11(12-6-4-7-14(16)9-12)18-21(19,20)10-13-5-2-3-8-15(13)17/h2-9,11,18H,10H2,1H3
InChIKeyHYFCGDQUTMWJJX-UHFFFAOYSA-N
MW327.81 g/mol
LogP3.66
Rot. Bonds5

About N-[1-(3-chlorophenyl)ethyl]-1-(2-fluorophenyl)methanesulfonamide

N-[1-(3-chlorophenyl)ethyl]-1-(2-fluorophenyl)methanesulfonamide (PubChem CID 51133226) has the molecular formula C15H15ClFNO2S and a molecular weight of 327.81 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-1-(2-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-1-(2-fluorophenyl)methanesulfonamide
PubChem CID51133226
Molecular FormulaC15H15ClFNO2S
Molecular Weight327.81 g/mol
Exact Mass327.05
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-1-(2-fluorophenyl)methanesulfonamide
SMILESCC(NS(=O)(=O)Cc1ccccc1F)c1cccc(Cl)c1
InChIInChI=1S/C15H15ClFNO2S/c1-11(12-6-4-7-14(16)9-12)18-21(19,20)10-13-5-2-3-8-15(13)17/h2-9,11,18H,10H2,1H3
InChIKeyHYFCGDQUTMWJJX-UHFFFAOYSA-N
XLogP3.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-1-(2-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-1-(2-fluorophenyl)methanesulfonamide (CID 51133226) is N-[1-(3-chlorophenyl)ethyl]-1-(2-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-1-(2-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-1-(2-fluorophenyl)methanesulfonamide is CC(NS(=O)(=O)Cc1ccccc1F)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-1-(2-fluorophenyl)methanesulfonamide?
The InChIKey is HYFCGDQUTMWJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2S/c1-11(12-6-4-7-14(16)9-12)18-21(19,20)10-13-5-2-3-8-15(13)17/h2-9,11,18H,10H2,1H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-1-(2-fluorophenyl)methanesulfonamide?
N-[1-(3-chlorophenyl)ethyl]-1-(2-fluorophenyl)methanesulfonamide has a molecular weight of 327.81 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-1-(2-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 51133226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).