2-(benzenesulfonyl)acetamide;dihydrochloride

C8H11Cl2NO3S — CID 130176655

IUPAC2-(benzenesulfonyl)acetamide;dihydrochloride
SMILESCl.Cl.NC(=O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C8H9NO3S.2ClH/c9-8(10)6-13(11,12)7-4-2-1-3-5-7;;/h1-5H,6H2,(H2,9,10);2*1H
InChIKeyOBNKCCIBPPTKMZ-UHFFFAOYSA-N
MW272.15 g/mol
LogP0.79
Rot. Bonds3

About 2-(benzenesulfonyl)acetamide;dihydrochloride

2-(benzenesulfonyl)acetamide;dihydrochloride (PubChem CID 130176655) has the molecular formula C8H11Cl2NO3S and a molecular weight of 272.15 g/mol. Its IUPAC name is 2-(benzenesulfonyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(benzenesulfonyl)acetamide;dihydrochloride
PubChem CID130176655
Molecular FormulaC8H11Cl2NO3S
Molecular Weight272.15 g/mol
Exact Mass270.98
IUPAC Name2-(benzenesulfonyl)acetamide;dihydrochloride
SMILESCl.Cl.NC(=O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C8H9NO3S.2ClH/c9-8(10)6-13(11,12)7-4-2-1-3-5-7;;/h1-5H,6H2,(H2,9,10);2*1H
InChIKeyOBNKCCIBPPTKMZ-UHFFFAOYSA-N
XLogP0.79
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-((4-Methylphenyl)sulfonyl)acetamide
CID 104164
Propanamide, 3-[(4-chlorophenyl)sulfonyl]-
CID 541881
2-[(4-Fluorophenyl)thio]acetamide
CID 2407366
2-(Benzenesulfonyl)ethan-1-amine
CID 3545497
3-(Benzenesulfonyl)propan-1-amine
CID 5007910
3-(benzenesulfonyl)-N-hydroxypropanamide
CID 54131575
N-Acetylbenzenesulfonamide
CID 138554
2-[(4-Chlorophenyl)sulfonyl]acetamide
CID 773998
Acetamide, 2,2-dibromo-2-(phenylsulfonyl)-
CID 207272
(2E,4E)-6-(benzenesulfinyl)-N-hydroxyhexa-2,4-dienamide
CID 11507090
4-(Benzenesulfonyl)butan-1-amine
CID 28753392
2-(Phenylsulfinyl)acetamide
CID 12335699

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)acetamide;dihydrochloride?
The IUPAC name of 2-(benzenesulfonyl)acetamide;dihydrochloride (CID 130176655) is 2-(benzenesulfonyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-(benzenesulfonyl)acetamide;dihydrochloride?
The canonical SMILES for 2-(benzenesulfonyl)acetamide;dihydrochloride is Cl.Cl.NC(=O)CS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)acetamide;dihydrochloride?
The InChIKey is OBNKCCIBPPTKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3S.2ClH/c9-8(10)6-13(11,12)7-4-2-1-3-5-7;;/h1-5H,6H2,(H2,9,10);2*1H.
What are the key properties of 2-(benzenesulfonyl)acetamide;dihydrochloride?
2-(benzenesulfonyl)acetamide;dihydrochloride has a molecular weight of 272.15 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)acetamide;dihydrochloride is sourced from PubChem (CID 130176655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).