[4-(dimethylamino)-3-fluorophenyl]methanesulfonyl chloride

C9H11ClFNO2S — CID 84707494

IUPAC[4-(dimethylamino)-3-fluorophenyl]methanesulfonyl chloride
SMILESCN(C)c1ccc(CS(=O)(=O)Cl)cc1F
InChIInChI=1S/C9H11ClFNO2S/c1-12(2)9-4-3-7(5-8(9)11)6-15(10,13)14/h3-5H,6H2,1-2H3
InChIKeyYUZKQDJSNKLEHT-UHFFFAOYSA-N
MW251.71 g/mol
LogP1.96
Rot. Bonds3

About [4-(dimethylamino)-3-fluorophenyl]methanesulfonyl chloride

[4-(dimethylamino)-3-fluorophenyl]methanesulfonyl chloride (PubChem CID 84707494) has the molecular formula C9H11ClFNO2S and a molecular weight of 251.71 g/mol. Its IUPAC name is [4-(dimethylamino)-3-fluorophenyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[4-(dimethylamino)-3-fluorophenyl]methanesulfonyl chloride
PubChem CID84707494
Molecular FormulaC9H11ClFNO2S
Molecular Weight251.71 g/mol
Exact Mass251.02
IUPAC Name[4-(dimethylamino)-3-fluorophenyl]methanesulfonyl chloride
SMILESCN(C)c1ccc(CS(=O)(=O)Cl)cc1F
InChIInChI=1S/C9H11ClFNO2S/c1-12(2)9-4-3-7(5-8(9)11)6-15(10,13)14/h3-5H,6H2,1-2H3
InChIKeyYUZKQDJSNKLEHT-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

[2-(dimethylamino)-5-fluorophenyl]methanesulfonyl chloride
CID 117382497
4-(chloromethyl)-2-fluoro-N,N-dimethylaniline;hydrochloride
CID 22072566
(4-fluoro-3-methylphenyl)methanesulfonyl chloride
CID 62119949
2-fluoro-N,N-dimethyl-4-propylaniline
CID 89112656
1-[4-(dimethylamino)-3-fluorophenyl]propan-2-ol
CID 117287208
(3,4-diethylphenyl)methanesulfonyl chloride
CID 117369333
(3-fluoro-4,5-dimethylphenyl)methanesulfonyl chloride
CID 84798329
N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-5-methylthiophene-2-sulfonamide
CID 86870469
[3-(chlorosulfonylmethyl)phenyl]methanesulfonyl chloride
CID 18676560
1-amino-3-[4-(dimethylamino)-3-fluorophenyl]propan-2-ol
CID 83442489
N-[4-(aminomethyl)-2-fluorophenyl]-N-methylethanesulfonamide
CID 165485847
N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-1,2,4-triazol-4-amine
CID 167752399

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-3-fluorophenyl]methanesulfonyl chloride?
The IUPAC name of [4-(dimethylamino)-3-fluorophenyl]methanesulfonyl chloride (CID 84707494) is [4-(dimethylamino)-3-fluorophenyl]methanesulfonyl chloride.
What is the SMILES notation for [4-(dimethylamino)-3-fluorophenyl]methanesulfonyl chloride?
The canonical SMILES for [4-(dimethylamino)-3-fluorophenyl]methanesulfonyl chloride is CN(C)c1ccc(CS(=O)(=O)Cl)cc1F.
What is the InChIKey of [4-(dimethylamino)-3-fluorophenyl]methanesulfonyl chloride?
The InChIKey is YUZKQDJSNKLEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO2S/c1-12(2)9-4-3-7(5-8(9)11)6-15(10,13)14/h3-5H,6H2,1-2H3.
What are the key properties of [4-(dimethylamino)-3-fluorophenyl]methanesulfonyl chloride?
[4-(dimethylamino)-3-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 [4-(dimethylamino)-3-fluorophenyl]methanesulfonyl chloride is sourced from PubChem (CID 84707494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).