butane-1-sulfonamide;dihydrochloride

C4H13Cl2NO2S — CID 140980497

IUPACbutane-1-sulfonamide;dihydrochloride
SMILESCCCCS(N)(=O)=O.Cl.Cl
InChIInChI=1S/C4H11NO2S.2ClH/c1-2-3-4-8(5,6)7;;/h2-4H2,1H3,(H2,5,6,7);2*1H
InChIKeyJJCANEPGSWWJSO-UHFFFAOYSA-N
MW210.13 g/mol
LogP0.92
Rot. Bonds3

About butane-1-sulfonamide;dihydrochloride

butane-1-sulfonamide;dihydrochloride (PubChem CID 140980497) has the molecular formula C4H13Cl2NO2S and a molecular weight of 210.13 g/mol. Its IUPAC name is butane-1-sulfonamide;dihydrochloride.

Molecular Properties

Compound Namebutane-1-sulfonamide;dihydrochloride
PubChem CID140980497
Molecular FormulaC4H13Cl2NO2S
Molecular Weight210.13 g/mol
Exact Mass209.00
IUPAC Namebutane-1-sulfonamide;dihydrochloride
SMILESCCCCS(N)(=O)=O.Cl.Cl
InChIInChI=1S/C4H11NO2S.2ClH/c1-2-3-4-8(5,6)7;;/h2-4H2,1H3,(H2,5,6,7);2*1H
InChIKeyJJCANEPGSWWJSO-UHFFFAOYSA-N
XLogP0.92
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.13
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 175918224
CID 175918224
pentacosane-1-sulfonamide
CID 149252389
butane-1-sulfonamide;trifluoromethanesulfonamide
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propane-1,3-disulfonamide
CID 22153832
methane;propane-1-sulfonamide
CID 159650684
CID 160808484
CID 160808484
N-(2-sulfamoylethyl)butane-1-sulfonamide
CID 61131734
dodecane-1,12-disulfonamide
CID 57288842
hexane;sulfamide
CID 87750585
5,5-diethylnonane-1-sulfonamide
CID 57243895
octane-1-sulfonamide;oxido(propyl)azanium
CID 174903054
2-(pentylamino)ethanesulfonamide
CID 43551719

Frequently Asked Questions

What is the IUPAC name of butane-1-sulfonamide;dihydrochloride?
The IUPAC name of butane-1-sulfonamide;dihydrochloride (CID 140980497) is butane-1-sulfonamide;dihydrochloride.
What is the SMILES notation for butane-1-sulfonamide;dihydrochloride?
The canonical SMILES for butane-1-sulfonamide;dihydrochloride is CCCCS(N)(=O)=O.Cl.Cl.
What is the InChIKey of butane-1-sulfonamide;dihydrochloride?
The InChIKey is JJCANEPGSWWJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2S.2ClH/c1-2-3-4-8(5,6)7;;/h2-4H2,1H3,(H2,5,6,7);2*1H.
What are the key properties of butane-1-sulfonamide;dihydrochloride?
butane-1-sulfonamide;dihydrochloride has a molecular weight of 210.13 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane-1-sulfonamide;dihydrochloride is sourced from PubChem (CID 140980497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).