1-(2-chloro-6-fluorophenyl)-N-[1-(4-ethoxyphenyl)ethyl]methanesulfonamide

C17H19ClFNO3S — CID 43907196

IUPAC1-(2-chloro-6-fluorophenyl)-N-[1-(4-ethoxyphenyl)ethyl]methanesulfonamide
SMILESCCOc1ccc(C(C)NS(=O)(=O)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C17H19ClFNO3S/c1-3-23-14-9-7-13(8-10-14)12(2)20-24(21,22)11-15-16(18)5-4-6-17(15)19/h4-10,12,20H,3,11H2,1-2H3
InChIKeyJERSZDJAJYEITC-UHFFFAOYSA-N
MW371.86 g/mol
LogP4.06
Rot. Bonds7

About 1-(2-chloro-6-fluorophenyl)-N-[1-(4-ethoxyphenyl)ethyl]methanesulfonamide

1-(2-chloro-6-fluorophenyl)-N-[1-(4-ethoxyphenyl)ethyl]methanesulfonamide (PubChem CID 43907196) has the molecular formula C17H19ClFNO3S and a molecular weight of 371.86 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-N-[1-(4-ethoxyphenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-N-[1-(4-ethoxyphenyl)ethyl]methanesulfonamide
PubChem CID43907196
Molecular FormulaC17H19ClFNO3S
Molecular Weight371.86 g/mol
Exact Mass371.08
IUPAC Name1-(2-chloro-6-fluorophenyl)-N-[1-(4-ethoxyphenyl)ethyl]methanesulfonamide
SMILESCCOc1ccc(C(C)NS(=O)(=O)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C17H19ClFNO3S/c1-3-23-14-9-7-13(8-10-14)12(2)20-24(21,22)11-15-16(18)5-4-6-17(15)19/h4-10,12,20H,3,11H2,1-2H3
InChIKeyJERSZDJAJYEITC-UHFFFAOYSA-N
XLogP4.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.86
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-6-fluorophenyl)-N-[(1R)-1-phenylethyl]methanesulfonamide
CID 42563699
2,6-dichloro-N-[1-(4-ethoxyphenyl)ethyl]benzenesulfonamide
CID 74768382
1-(2,4-dichlorophenyl)-N-[1-(4-ethoxyphenyl)ethyl]methanesulfonamide
CID 43905164
1-(2-chloro-6-fluorophenyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]methanesulfonamide
CID 94027446
1-(2,6-dichlorophenyl)-N-[1-(4-ethylphenyl)ethyl]methanesulfonamide
CID 133161036
1-(2-chloro-6-fluorophenyl)-N-(1-phenylpropyl)methanesulfonamide
CID 43905570
2-(2-chloro-6-fluorophenyl)-1-(4-ethoxyphenyl)ethanol
CID 61099366
1-(2-chloro-6-fluorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide
CID 28576901
1-(2-chloro-6-fluorophenyl)-N-(2-ethylsulfanylphenyl)methanesulfonamide
CID 99951031
1-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]methanesulfonamide
CID 28569145
1-(2-fluorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]methanesulfonamide
CID 93487236
1-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]methanesulfonamide
CID 43908400

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-[1-(4-ethoxyphenyl)ethyl]methanesulfonamide?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-[1-(4-ethoxyphenyl)ethyl]methanesulfonamide (CID 43907196) is 1-(2-chloro-6-fluorophenyl)-N-[1-(4-ethoxyphenyl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-N-[1-(4-ethoxyphenyl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-N-[1-(4-ethoxyphenyl)ethyl]methanesulfonamide is CCOc1ccc(C(C)NS(=O)(=O)Cc2c(F)cccc2Cl)cc1.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-N-[1-(4-ethoxyphenyl)ethyl]methanesulfonamide?
The InChIKey is JERSZDJAJYEITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO3S/c1-3-23-14-9-7-13(8-10-14)12(2)20-24(21,22)11-15-16(18)5-4-6-17(15)19/h4-10,12,20H,3,11H2,1-2H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-N-[1-(4-ethoxyphenyl)ethyl]methanesulfonamide?
1-(2-chloro-6-fluorophenyl)-N-[1-(4-ethoxyphenyl)ethyl]methanesulfonamide has a molecular weight of 371.86 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-N-[1-(4-ethoxyphenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 43907196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).