[2-(dimethylamino)-5-fluorophenyl]methanesulfonyl chloride

C9H11ClFNO2S — CID 117382497

IUPAC[2-(dimethylamino)-5-fluorophenyl]methanesulfonyl chloride
SMILESCN(C)c1ccc(F)cc1CS(=O)(=O)Cl
InChIInChI=1S/C9H11ClFNO2S/c1-12(2)9-4-3-8(11)5-7(9)6-15(10,13)14/h3-5H,6H2,1-2H3
InChIKeyMYTOVKNLZZSRQV-UHFFFAOYSA-N
MW251.71 g/mol
LogP1.96
Rot. Bonds3

About [2-(dimethylamino)-5-fluorophenyl]methanesulfonyl chloride

[2-(dimethylamino)-5-fluorophenyl]methanesulfonyl chloride (PubChem CID 117382497) has the molecular formula C9H11ClFNO2S and a molecular weight of 251.71 g/mol. Its IUPAC name is [2-(dimethylamino)-5-fluorophenyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[2-(dimethylamino)-5-fluorophenyl]methanesulfonyl chloride
PubChem CID117382497
Molecular FormulaC9H11ClFNO2S
Molecular Weight251.71 g/mol
Exact Mass251.02
IUPAC Name[2-(dimethylamino)-5-fluorophenyl]methanesulfonyl chloride
SMILESCN(C)c1ccc(F)cc1CS(=O)(=O)Cl
InChIInChI=1S/C9H11ClFNO2S/c1-12(2)9-4-3-8(11)5-7(9)6-15(10,13)14/h3-5H,6H2,1-2H3
InChIKeyMYTOVKNLZZSRQV-UHFFFAOYSA-N
XLogP1.96
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(dimethylamino)-3-fluorophenyl]methanesulfonyl chloride
CID 84707494
2-[2-(dimethylamino)-5-fluorophenyl]ethanol
CID 55266724
2-ethyl-4-fluorobenzenesulfonyl chloride
CID 87439180
2-chloro-1-(chloromethyl)-4-fluorobenzene;(2-chloro-4-fluorophenyl)methanesulfonyl chloride
CID 159873600
[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-5-methylphenyl]methanesulfonyl chloride
CID 23401791
N-[[2-(dimethylamino)phenyl]methyl]-5-fluoro-2-methylbenzenesulfonamide
CID 75493750
(5-chloro-2-fluorophenyl)methanesulfonyl chloride
CID 53401491
2-ethyl-1-(2-ethyl-4-fluorophenyl)sulfonyl-4-fluorobenzene
CID 68919271
(3-bromo-2,5-difluorophenyl)methanesulfonyl chloride
CID 117490895
2-(2-ethyl-4-fluoro-N-methylanilino)acetic acid
CID 145054676
2-(aminomethyl)-5-fluoro-N,N-dimethylaniline
CID 117110792
2-ethyl-1,4-difluorobenzene
CID 23202513

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-5-fluorophenyl]methanesulfonyl chloride?
The IUPAC name of [2-(dimethylamino)-5-fluorophenyl]methanesulfonyl chloride (CID 117382497) is [2-(dimethylamino)-5-fluorophenyl]methanesulfonyl chloride.
What is the SMILES notation for [2-(dimethylamino)-5-fluorophenyl]methanesulfonyl chloride?
The canonical SMILES for [2-(dimethylamino)-5-fluorophenyl]methanesulfonyl chloride is CN(C)c1ccc(F)cc1CS(=O)(=O)Cl.
What is the InChIKey of [2-(dimethylamino)-5-fluorophenyl]methanesulfonyl chloride?
The InChIKey is MYTOVKNLZZSRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO2S/c1-12(2)9-4-3-8(11)5-7(9)6-15(10,13)14/h3-5H,6H2,1-2H3.
What are the key properties of [2-(dimethylamino)-5-fluorophenyl]methanesulfonyl chloride?
[2-(dimethylamino)-5-fluorophenyl]methanesulfonyl chloride has a molecular weight of 251.71 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-5-fluorophenyl]methanesulfonyl chloride is sourced from PubChem (CID 117382497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).