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

C10H11ClFNO4S2 — CID 155517269

IUPAC(E)-2-[4-chloro-3-(dimethylsulfamoyl)phenyl]ethenesulfonyl fluoride
SMILESCN(C)S(=O)(=O)c1cc(/C=C/S(=O)(=O)F)ccc1Cl
InChIInChI=1S/C10H11ClFNO4S2/c1-13(2)19(16,17)10-7-8(3-4-9(10)11)5-6-18(12,14)15/h3-7H,1-2H3/b6-5+
InChIKeyBQYUTMDEPMPLEA-AATRIKPKSA-N
MW327.79 g/mol
LogP1.86
Rot. Bonds4

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

(E)-2-[4-chloro-3-(dimethylsulfamoyl)phenyl]ethenesulfonyl fluoride (PubChem CID 155517269) has the molecular formula C10H11ClFNO4S2 and a molecular weight of 327.79 g/mol. Its IUPAC name is (E)-2-[4-chloro-3-(dimethylsulfamoyl)phenyl]ethenesulfonyl fluoride.

Molecular Properties

Compound Name(E)-2-[4-chloro-3-(dimethylsulfamoyl)phenyl]ethenesulfonyl fluoride
PubChem CID155517269
Molecular FormulaC10H11ClFNO4S2
Molecular Weight327.79 g/mol
Exact Mass326.98
IUPAC Name(E)-2-[4-chloro-3-(dimethylsulfamoyl)phenyl]ethenesulfonyl fluoride
SMILESCN(C)S(=O)(=O)c1cc(/C=C/S(=O)(=O)F)ccc1Cl
InChIInChI=1S/C10H11ClFNO4S2/c1-13(2)19(16,17)10-7-8(3-4-9(10)11)5-6-18(12,14)15/h3-7H,1-2H3/b6-5+
InChIKeyBQYUTMDEPMPLEA-AATRIKPKSA-N
XLogP1.86
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-2-[4-chloro-3-(dimethylsulfamoyl)phenyl]ethenesulfonyl fluoride?
The IUPAC name of (E)-2-[4-chloro-3-(dimethylsulfamoyl)phenyl]ethenesulfonyl fluoride (CID 155517269) is (E)-2-[4-chloro-3-(dimethylsulfamoyl)phenyl]ethenesulfonyl fluoride.
What is the SMILES notation for (E)-2-[4-chloro-3-(dimethylsulfamoyl)phenyl]ethenesulfonyl fluoride?
The canonical SMILES for (E)-2-[4-chloro-3-(dimethylsulfamoyl)phenyl]ethenesulfonyl fluoride is CN(C)S(=O)(=O)c1cc(/C=C/S(=O)(=O)F)ccc1Cl.
What is the InChIKey of (E)-2-[4-chloro-3-(dimethylsulfamoyl)phenyl]ethenesulfonyl fluoride?
The InChIKey is BQYUTMDEPMPLEA-AATRIKPKSA-N. The full InChI is InChI=1S/C10H11ClFNO4S2/c1-13(2)19(16,17)10-7-8(3-4-9(10)11)5-6-18(12,14)15/h3-7H,1-2H3/b6-5+.
What are the key properties of (E)-2-[4-chloro-3-(dimethylsulfamoyl)phenyl]ethenesulfonyl fluoride?
(E)-2-[4-chloro-3-(dimethylsulfamoyl)phenyl]ethenesulfonyl fluoride has a molecular weight of 327.79 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[4-chloro-3-(dimethylsulfamoyl)phenyl]ethenesulfonyl fluoride is sourced from PubChem (CID 155517269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).