methanesulfonamide;dihydrochloride

CH7Cl2NO2S — CID 23102685

IUPACmethanesulfonamide;dihydrochloride
SMILESCS(N)(=O)=O.Cl.Cl
InChIInChI=1S/CH5NO2S.2ClH/c1-5(2,3)4;;/h1H3,(H2,2,3,4);2*1H
InChIKeyQXXDTQJIPIKKGF-UHFFFAOYSA-N
MW168.04 g/mol
LogP-0.25
Rot. Bonds

About methanesulfonamide;dihydrochloride

methanesulfonamide;dihydrochloride (PubChem CID 23102685) has the molecular formula CH7Cl2NO2S and a molecular weight of 168.04 g/mol. Its IUPAC name is methanesulfonamide;dihydrochloride.

Molecular Properties

Compound Namemethanesulfonamide;dihydrochloride
PubChem CID23102685
Molecular FormulaCH7Cl2NO2S
Molecular Weight168.04 g/mol
Exact Mass166.96
IUPAC Namemethanesulfonamide;dihydrochloride
SMILESCS(N)(=O)=O.Cl.Cl
InChIInChI=1S/CH5NO2S.2ClH/c1-5(2,3)4;;/h1H3,(H2,2,3,4);2*1H
InChIKeyQXXDTQJIPIKKGF-UHFFFAOYSA-N
XLogP-0.25
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.04
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 160957536
CID 160957536
methanesulfonamide;propane
CID 158760342
methanesulfonamide;propan-2-one
CID 158339378
ethane;sulfamide
CID 161040536
hydroxylamine;methanesulfonic acid;hydrochloride
CID 87157729
[methyl(sulfamoyl)amino]methane;hydrochloride
CID 18615116
amino methanesulfonate;hydrochloride
CID 87157730
ethane;sulfamic acid
CID 172846940
methanesulfonic acid;hydrate;hydrochloride
CID 140967673
sulfamide;hydrofluoride
CID 159368597
hydrazine;sulfamide
CID 175485141
ethane;methanesulfonamide;methyl methanesulfonate;methylsulfanyloxymethane
CID 91045448

Frequently Asked Questions

What is the IUPAC name of methanesulfonamide;dihydrochloride?
The IUPAC name of methanesulfonamide;dihydrochloride (CID 23102685) is methanesulfonamide;dihydrochloride.
What is the SMILES notation for methanesulfonamide;dihydrochloride?
The canonical SMILES for methanesulfonamide;dihydrochloride is CS(N)(=O)=O.Cl.Cl.
What is the InChIKey of methanesulfonamide;dihydrochloride?
The InChIKey is QXXDTQJIPIKKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5NO2S.2ClH/c1-5(2,3)4;;/h1H3,(H2,2,3,4);2*1H.
What are the key properties of methanesulfonamide;dihydrochloride?
methanesulfonamide;dihydrochloride has a molecular weight of 168.04 g/mol, XLogP of -0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonamide;dihydrochloride is sourced from PubChem (CID 23102685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).