acetamide;methanesulfonyl chloride

C3H8ClNO3S — CID 158311793

IUPACacetamide;methanesulfonyl chloride
SMILESCC(N)=O.CS(=O)(=O)Cl
InChIInChI=1S/C2H5NO.CH3ClO2S/c1-2(3)4;1-5(2,3)4/h1H3,(H2,3,4);1H3
InChIKeyGNTOGMQKQPXILJ-UHFFFAOYSA-N
MW173.62 g/mol
LogP-0.32
Rot. Bonds

About acetamide;methanesulfonyl chloride

acetamide;methanesulfonyl chloride (PubChem CID 158311793) has the molecular formula C3H8ClNO3S and a molecular weight of 173.62 g/mol. Its IUPAC name is acetamide;methanesulfonyl chloride.

Molecular Properties

Compound Nameacetamide;methanesulfonyl chloride
PubChem CID158311793
Molecular FormulaC3H8ClNO3S
Molecular Weight173.62 g/mol
Exact Mass172.99
IUPAC Nameacetamide;methanesulfonyl chloride
SMILESCC(N)=O.CS(=O)(=O)Cl
InChIInChI=1S/C2H5NO.CH3ClO2S/c1-2(3)4;1-5(2,3)4/h1H3,(H2,3,4);1H3
InChIKeyGNTOGMQKQPXILJ-UHFFFAOYSA-N
XLogP-0.32
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.62
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of acetamide;methanesulfonyl chloride?
The IUPAC name of acetamide;methanesulfonyl chloride (CID 158311793) is acetamide;methanesulfonyl chloride.
What is the SMILES notation for acetamide;methanesulfonyl chloride?
The canonical SMILES for acetamide;methanesulfonyl chloride is CC(N)=O.CS(=O)(=O)Cl.
What is the InChIKey of acetamide;methanesulfonyl chloride?
The InChIKey is GNTOGMQKQPXILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO.CH3ClO2S/c1-2(3)4;1-5(2,3)4/h1H3,(H2,3,4);1H3.
What are the key properties of acetamide;methanesulfonyl chloride?
acetamide;methanesulfonyl chloride has a molecular weight of 173.62 g/mol, XLogP of -0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;methanesulfonyl chloride is sourced from PubChem (CID 158311793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).