2-[4-chloro-3-(dimethylsulfamoyl)phenyl]ethanesulfonyl fluoride

C10H13ClFNO4S2 — CID 155553666

IUPAC2-[4-chloro-3-(dimethylsulfamoyl)phenyl]ethanesulfonyl fluoride
SMILESCN(C)S(=O)(=O)c1cc(CCS(=O)(=O)F)ccc1Cl
InChIInChI=1S/C10H13ClFNO4S2/c1-13(2)19(16,17)10-7-8(3-4-9(10)11)5-6-18(12,14)15/h3-4,7H,5-6H2,1-2H3
InChIKeyQEVKEOBBBAHZIR-UHFFFAOYSA-N
MW329.80 g/mol
LogP1.43
Rot. Bonds5

About 2-[4-chloro-3-(dimethylsulfamoyl)phenyl]ethanesulfonyl fluoride

2-[4-chloro-3-(dimethylsulfamoyl)phenyl]ethanesulfonyl fluoride (PubChem CID 155553666) has the molecular formula C10H13ClFNO4S2 and a molecular weight of 329.80 g/mol. Its IUPAC name is 2-[4-chloro-3-(dimethylsulfamoyl)phenyl]ethanesulfonyl fluoride.

Molecular Properties

Compound Name2-[4-chloro-3-(dimethylsulfamoyl)phenyl]ethanesulfonyl fluoride
PubChem CID155553666
Molecular FormulaC10H13ClFNO4S2
Molecular Weight329.80 g/mol
Exact Mass329.00
IUPAC Name2-[4-chloro-3-(dimethylsulfamoyl)phenyl]ethanesulfonyl fluoride
SMILESCN(C)S(=O)(=O)c1cc(CCS(=O)(=O)F)ccc1Cl
InChIInChI=1S/C10H13ClFNO4S2/c1-13(2)19(16,17)10-7-8(3-4-9(10)11)5-6-18(12,14)15/h3-4,7H,5-6H2,1-2H3
InChIKeyQEVKEOBBBAHZIR-UHFFFAOYSA-N
XLogP1.43
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.80
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(dimethylsulfamoyl)phenyl]ethanesulfonyl fluoride?
The IUPAC name of 2-[4-chloro-3-(dimethylsulfamoyl)phenyl]ethanesulfonyl fluoride (CID 155553666) is 2-[4-chloro-3-(dimethylsulfamoyl)phenyl]ethanesulfonyl fluoride.
What is the SMILES notation for 2-[4-chloro-3-(dimethylsulfamoyl)phenyl]ethanesulfonyl fluoride?
The canonical SMILES for 2-[4-chloro-3-(dimethylsulfamoyl)phenyl]ethanesulfonyl fluoride is CN(C)S(=O)(=O)c1cc(CCS(=O)(=O)F)ccc1Cl.
What is the InChIKey of 2-[4-chloro-3-(dimethylsulfamoyl)phenyl]ethanesulfonyl fluoride?
The InChIKey is QEVKEOBBBAHZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO4S2/c1-13(2)19(16,17)10-7-8(3-4-9(10)11)5-6-18(12,14)15/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 2-[4-chloro-3-(dimethylsulfamoyl)phenyl]ethanesulfonyl fluoride?
2-[4-chloro-3-(dimethylsulfamoyl)phenyl]ethanesulfonyl fluoride has a molecular weight of 329.80 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(dimethylsulfamoyl)phenyl]ethanesulfonyl fluoride is sourced from PubChem (CID 155553666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).