[4-chloro-3-(dimethylsulfamoyl)phenyl]methanesulfonyl fluoride

C9H11ClFNO4S2 — CID 155556475

IUPAC[4-chloro-3-(dimethylsulfamoyl)phenyl]methanesulfonyl fluoride
SMILESCN(C)S(=O)(=O)c1cc(CS(=O)(=O)F)ccc1Cl
InChIInChI=1S/C9H11ClFNO4S2/c1-12(2)18(15,16)9-5-7(3-4-8(9)10)6-17(11,13)14/h3-5H,6H2,1-2H3
InChIKeyKPDSVEDFWVILDH-UHFFFAOYSA-N
MW315.78 g/mol
LogP1.39
Rot. Bonds4

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

[4-chloro-3-(dimethylsulfamoyl)phenyl]methanesulfonyl fluoride (PubChem CID 155556475) has the molecular formula C9H11ClFNO4S2 and a molecular weight of 315.78 g/mol. Its IUPAC name is [4-chloro-3-(dimethylsulfamoyl)phenyl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[4-chloro-3-(dimethylsulfamoyl)phenyl]methanesulfonyl fluoride
PubChem CID155556475
Molecular FormulaC9H11ClFNO4S2
Molecular Weight315.78 g/mol
Exact Mass314.98
IUPAC Name[4-chloro-3-(dimethylsulfamoyl)phenyl]methanesulfonyl fluoride
SMILESCN(C)S(=O)(=O)c1cc(CS(=O)(=O)F)ccc1Cl
InChIInChI=1S/C9H11ClFNO4S2/c1-12(2)18(15,16)9-5-7(3-4-8(9)10)6-17(11,13)14/h3-5H,6H2,1-2H3
InChIKeyKPDSVEDFWVILDH-UHFFFAOYSA-N
XLogP1.39
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.78
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-3-(dimethylsulfamoyl)phenyl]methanesulfonyl fluoride?
The IUPAC name of [4-chloro-3-(dimethylsulfamoyl)phenyl]methanesulfonyl fluoride (CID 155556475) is [4-chloro-3-(dimethylsulfamoyl)phenyl]methanesulfonyl fluoride.
What is the SMILES notation for [4-chloro-3-(dimethylsulfamoyl)phenyl]methanesulfonyl fluoride?
The canonical SMILES for [4-chloro-3-(dimethylsulfamoyl)phenyl]methanesulfonyl fluoride is CN(C)S(=O)(=O)c1cc(CS(=O)(=O)F)ccc1Cl.
What is the InChIKey of [4-chloro-3-(dimethylsulfamoyl)phenyl]methanesulfonyl fluoride?
The InChIKey is KPDSVEDFWVILDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO4S2/c1-12(2)18(15,16)9-5-7(3-4-8(9)10)6-17(11,13)14/h3-5H,6H2,1-2H3.
What are the key properties of [4-chloro-3-(dimethylsulfamoyl)phenyl]methanesulfonyl fluoride?
[4-chloro-3-(dimethylsulfamoyl)phenyl]methanesulfonyl fluoride has a molecular weight of 315.78 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-3-(dimethylsulfamoyl)phenyl]methanesulfonyl fluoride is sourced from PubChem (CID 155556475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).