4-(dimethylamino)-2-fluorobenzenesulfonyl chloride

C8H9ClFNO2S — CID 139490972

IUPAC4-(dimethylamino)-2-fluorobenzenesulfonyl chloride
SMILESCN(C)c1ccc(S(=O)(=O)Cl)c(F)c1
InChIInChI=1S/C8H9ClFNO2S/c1-11(2)6-3-4-8(7(10)5-6)14(9,12)13/h3-5H,1-2H3
InChIKeyOZYXJHLFYAXWCE-UHFFFAOYSA-N
MW237.68 g/mol
LogP1.82
Rot. Bonds2

About 4-(dimethylamino)-2-fluorobenzenesulfonyl chloride

4-(dimethylamino)-2-fluorobenzenesulfonyl chloride (PubChem CID 139490972) has the molecular formula C8H9ClFNO2S and a molecular weight of 237.68 g/mol. Its IUPAC name is 4-(dimethylamino)-2-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name4-(dimethylamino)-2-fluorobenzenesulfonyl chloride
PubChem CID139490972
Molecular FormulaC8H9ClFNO2S
Molecular Weight237.68 g/mol
Exact Mass237.00
IUPAC Name4-(dimethylamino)-2-fluorobenzenesulfonyl chloride
SMILESCN(C)c1ccc(S(=O)(=O)Cl)c(F)c1
InChIInChI=1S/C8H9ClFNO2S/c1-11(2)6-3-4-8(7(10)5-6)14(9,12)13/h3-5H,1-2H3
InChIKeyOZYXJHLFYAXWCE-UHFFFAOYSA-N
XLogP1.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.68
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 23673835
CID 23673835
CID 14612854
CID 14612854
CID 44392435
CID 44392435
CID 21061
CID 21061
CID 23669136
CID 23669136
CID 733944
CID 733944
CID 11037
CID 11037
CID 67140
CID 67140
CID 23703126
CID 23703126
CID 85279
CID 85279
CID 127052811
CID 127052811
CID 23665438
CID 23665438

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-fluorobenzenesulfonyl chloride?
The IUPAC name of 4-(dimethylamino)-2-fluorobenzenesulfonyl chloride (CID 139490972) is 4-(dimethylamino)-2-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 4-(dimethylamino)-2-fluorobenzenesulfonyl chloride?
The canonical SMILES for 4-(dimethylamino)-2-fluorobenzenesulfonyl chloride is CN(C)c1ccc(S(=O)(=O)Cl)c(F)c1.
What is the InChIKey of 4-(dimethylamino)-2-fluorobenzenesulfonyl chloride?
The InChIKey is OZYXJHLFYAXWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFNO2S/c1-11(2)6-3-4-8(7(10)5-6)14(9,12)13/h3-5H,1-2H3.
What are the key properties of 4-(dimethylamino)-2-fluorobenzenesulfonyl chloride?
4-(dimethylamino)-2-fluorobenzenesulfonyl chloride has a molecular weight of 237.68 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 139490972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).