2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)-N,N-dimethylethanamine

C16H16ClF2NO2S — CID 16681305

IUPAC2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)-N,N-dimethylethanamine
SMILESCN(C)CC(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClF2NO2S/c1-20(2)10-16(14-9-12(18)5-8-15(14)19)23(21,22)13-6-3-11(17)4-7-13/h3-9,16H,10H2,1-2H3
InChIKeyCZVYIXMXTFTQSC-UHFFFAOYSA-N
MW359.83 g/mol
LogP3.69
Rot. Bonds5

About 2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)-N,N-dimethylethanamine

2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)-N,N-dimethylethanamine (PubChem CID 16681305) has the molecular formula C16H16ClF2NO2S and a molecular weight of 359.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)-N,N-dimethylethanamine
PubChem CID16681305
Molecular FormulaC16H16ClF2NO2S
Molecular Weight359.83 g/mol
Exact Mass359.06
IUPAC Name2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)-N,N-dimethylethanamine
SMILESCN(C)CC(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClF2NO2S/c1-20(2)10-16(14-9-12(18)5-8-15(14)19)23(21,22)13-6-3-11(17)4-7-13/h3-9,16H,10H2,1-2H3
InChIKeyCZVYIXMXTFTQSC-UHFFFAOYSA-N
XLogP3.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.83
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)sulfonyl-N,N-dimethyl-2-(2,3,6-trifluorophenyl)ethanamine
CID 58950225
2-[1-(4-chlorophenyl)sulfonyl-3-(2-methylphenyl)propyl]-1,4-difluorobenzene
CID 23028766
2-[1-(4-chlorophenyl)sulfonyl-6-methylsulfonylhexyl]-1,4-difluorobenzene
CID 59750834
2-[1-(4-chlorophenyl)sulfonyl-4-phenylpentyl]-1,4-difluorobenzene
CID 23028629
1-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)propyl]pyrrole
CID 59750748
ethyl 2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)acetate
CID 142175698
tert-butyl-[(2R,3S)-3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)-2-methylpropyl]carbamic acid
CID 91018614
2-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)propyl]pyridine
CID 59750846
4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)-3-methylbutanal
CID 86601720
tert-butyl N-[5-(4-chlorophenyl)sulfonyl-5-(2,5-difluorophenyl)pentyl]-N-methylsulfanylcarbamate
CID 89262916
1,4-difluoro-2-[1-(4-methylphenyl)sulfonyl-5-methylsulfonylpentyl]benzene
CID 59750767
2-[(4-chlorophenyl)sulfonyl-cyclopentylmethyl]-1,4-difluorobenzene
CID 59769784

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)-N,N-dimethylethanamine?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)-N,N-dimethylethanamine (CID 16681305) is 2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)-N,N-dimethylethanamine is CN(C)CC(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)-N,N-dimethylethanamine?
The InChIKey is CZVYIXMXTFTQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2NO2S/c1-20(2)10-16(14-9-12(18)5-8-15(14)19)23(21,22)13-6-3-11(17)4-7-13/h3-9,16H,10H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)-N,N-dimethylethanamine?
2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)-N,N-dimethylethanamine has a molecular weight of 359.83 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)-N,N-dimethylethanamine is sourced from PubChem (CID 16681305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).