2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]ethanesulfonyl chloride

C9H13ClN2O4S3 — CID 103341263

IUPAC2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]ethanesulfonyl chloride
SMILESCN(C)S(=O)(=O)c1ccc(SCCS(=O)(=O)Cl)nc1
InChIInChI=1S/C9H13ClN2O4S3/c1-12(2)19(15,16)8-3-4-9(11-7-8)17-5-6-18(10,13)14/h3-4,7H,5-6H2,1-2H3
InChIKeyQUERFQLEIVIPBW-UHFFFAOYSA-N
MW344.87 g/mol
LogP0.99
Rot. Bonds6

About 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]ethanesulfonyl chloride

2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]ethanesulfonyl chloride (PubChem CID 103341263) has the molecular formula C9H13ClN2O4S3 and a molecular weight of 344.87 g/mol. Its IUPAC name is 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]ethanesulfonyl chloride.

Molecular Properties

Compound Name2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]ethanesulfonyl chloride
PubChem CID103341263
Molecular FormulaC9H13ClN2O4S3
Molecular Weight344.87 g/mol
Exact Mass343.97
IUPAC Name2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]ethanesulfonyl chloride
SMILESCN(C)S(=O)(=O)c1ccc(SCCS(=O)(=O)Cl)nc1
InChIInChI=1S/C9H13ClN2O4S3/c1-12(2)19(15,16)8-3-4-9(11-7-8)17-5-6-18(10,13)14/h3-4,7H,5-6H2,1-2H3
InChIKeyQUERFQLEIVIPBW-UHFFFAOYSA-N
XLogP0.99
TPSA84.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.87
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]ethanesulfonyl chloride?
The IUPAC name of 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]ethanesulfonyl chloride (CID 103341263) is 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]ethanesulfonyl chloride.
What is the SMILES notation for 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]ethanesulfonyl chloride?
The canonical SMILES for 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]ethanesulfonyl chloride is CN(C)S(=O)(=O)c1ccc(SCCS(=O)(=O)Cl)nc1.
What is the InChIKey of 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]ethanesulfonyl chloride?
The InChIKey is QUERFQLEIVIPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O4S3/c1-12(2)19(15,16)8-3-4-9(11-7-8)17-5-6-18(10,13)14/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]ethanesulfonyl chloride?
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]ethanesulfonyl chloride has a molecular weight of 344.87 g/mol, XLogP of 0.99, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]ethanesulfonyl chloride is sourced from PubChem (CID 103341263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).