2-(dimethylsulfamoylamino)ethanesulfonyl chloride

C4H11ClN2O4S2 — CID 79905023

IUPAC2-(dimethylsulfamoylamino)ethanesulfonyl chloride
SMILESCN(C)S(=O)(=O)NCCS(=O)(=O)Cl
InChIInChI=1S/C4H11ClN2O4S2/c1-7(2)13(10,11)6-3-4-12(5,8)9/h6H,3-4H2,1-2H3
InChIKeyWEGDBQGBFUBZFT-UHFFFAOYSA-N
MW250.73 g/mol
LogP-1.05
Rot. Bonds5

About 2-(dimethylsulfamoylamino)ethanesulfonyl chloride

2-(dimethylsulfamoylamino)ethanesulfonyl chloride (PubChem CID 79905023) has the molecular formula C4H11ClN2O4S2 and a molecular weight of 250.73 g/mol. Its IUPAC name is 2-(dimethylsulfamoylamino)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(dimethylsulfamoylamino)ethanesulfonyl chloride
PubChem CID79905023
Molecular FormulaC4H11ClN2O4S2
Molecular Weight250.73 g/mol
Exact Mass249.98
IUPAC Name2-(dimethylsulfamoylamino)ethanesulfonyl chloride
SMILESCN(C)S(=O)(=O)NCCS(=O)(=O)Cl
InChIInChI=1S/C4H11ClN2O4S2/c1-7(2)13(10,11)6-3-4-12(5,8)9/h6H,3-4H2,1-2H3
InChIKeyWEGDBQGBFUBZFT-UHFFFAOYSA-N
XLogP-1.05
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 5-1.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylsulfamoylamino)ethanesulfonyl chloride?
The IUPAC name of 2-(dimethylsulfamoylamino)ethanesulfonyl chloride (CID 79905023) is 2-(dimethylsulfamoylamino)ethanesulfonyl chloride.
What is the SMILES notation for 2-(dimethylsulfamoylamino)ethanesulfonyl chloride?
The canonical SMILES for 2-(dimethylsulfamoylamino)ethanesulfonyl chloride is CN(C)S(=O)(=O)NCCS(=O)(=O)Cl.
What is the InChIKey of 2-(dimethylsulfamoylamino)ethanesulfonyl chloride?
The InChIKey is WEGDBQGBFUBZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11ClN2O4S2/c1-7(2)13(10,11)6-3-4-12(5,8)9/h6H,3-4H2,1-2H3.
What are the key properties of 2-(dimethylsulfamoylamino)ethanesulfonyl chloride?
2-(dimethylsulfamoylamino)ethanesulfonyl chloride has a molecular weight of 250.73 g/mol, XLogP of -1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylsulfamoylamino)ethanesulfonyl chloride is sourced from PubChem (CID 79905023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).