1-(2-chloro-6-fluorophenyl)-N-(1-phenylpropyl)methanesulfonamide

C16H17ClFNO2S — CID 43905570

IUPAC1-(2-chloro-6-fluorophenyl)-N-(1-phenylpropyl)methanesulfonamide
SMILESCCC(NS(=O)(=O)Cc1c(F)cccc1Cl)c1ccccc1
InChIInChI=1S/C16H17ClFNO2S/c1-2-16(12-7-4-3-5-8-12)19-22(20,21)11-13-14(17)9-6-10-15(13)18/h3-10,16,19H,2,11H2,1H3
InChIKeyYYAMQBAVROSTGY-UHFFFAOYSA-N
MW341.84 g/mol
LogP4.05
Rot. Bonds6

About 1-(2-chloro-6-fluorophenyl)-N-(1-phenylpropyl)methanesulfonamide

1-(2-chloro-6-fluorophenyl)-N-(1-phenylpropyl)methanesulfonamide (PubChem CID 43905570) has the molecular formula C16H17ClFNO2S and a molecular weight of 341.84 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-N-(1-phenylpropyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-N-(1-phenylpropyl)methanesulfonamide
PubChem CID43905570
Molecular FormulaC16H17ClFNO2S
Molecular Weight341.84 g/mol
Exact Mass341.07
IUPAC Name1-(2-chloro-6-fluorophenyl)-N-(1-phenylpropyl)methanesulfonamide
SMILESCCC(NS(=O)(=O)Cc1c(F)cccc1Cl)c1ccccc1
InChIInChI=1S/C16H17ClFNO2S/c1-2-16(12-7-4-3-5-8-12)19-22(20,21)11-13-14(17)9-6-10-15(13)18/h3-10,16,19H,2,11H2,1H3
InChIKeyYYAMQBAVROSTGY-UHFFFAOYSA-N
XLogP4.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-6-fluorophenyl)-N-[(1R)-1-phenylethyl]methanesulfonamide
CID 42563699
1-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]methanesulfonamide
CID 28569145
1-(2-chloro-6-fluorophenyl)-N-(2-ethylsulfanylphenyl)methanesulfonamide
CID 99951031
1-(2-chloro-6-fluorophenyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]methanesulfonamide
CID 94027446
1-(2,4-dichlorophenyl)-N-[(1S)-1-phenylpropyl]methanesulfonamide
CID 38009978
1-(3-chlorophenyl)-N-[(1R)-1-phenylpropyl]methanesulfonamide
CID 92685740
1-(2-chloro-6-fluorophenyl)-N-[1-(4-ethoxyphenyl)ethyl]methanesulfonamide
CID 43907196
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(1-phenylpropyl)acetamide
CID 43877007
3-(2-chloro-6-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine
CID 63400371
1-(3-aminophenyl)-N-(1-phenylpropyl)methanesulfonamide
CID 62305717
1-(2-chlorophenyl)-N-[1-(4-methoxyphenyl)propyl]methanesulfonamide
CID 43907995
[2-(2-chloro-6-fluorophenyl)-1-phenylethyl]hydrazine
CID 105199154

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-(1-phenylpropyl)methanesulfonamide?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-(1-phenylpropyl)methanesulfonamide (CID 43905570) is 1-(2-chloro-6-fluorophenyl)-N-(1-phenylpropyl)methanesulfonamide.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-N-(1-phenylpropyl)methanesulfonamide?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-N-(1-phenylpropyl)methanesulfonamide is CCC(NS(=O)(=O)Cc1c(F)cccc1Cl)c1ccccc1.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-N-(1-phenylpropyl)methanesulfonamide?
The InChIKey is YYAMQBAVROSTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO2S/c1-2-16(12-7-4-3-5-8-12)19-22(20,21)11-13-14(17)9-6-10-15(13)18/h3-10,16,19H,2,11H2,1H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-N-(1-phenylpropyl)methanesulfonamide?
1-(2-chloro-6-fluorophenyl)-N-(1-phenylpropyl)methanesulfonamide has a molecular weight of 341.84 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-N-(1-phenylpropyl)methanesulfonamide is sourced from PubChem (CID 43905570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).