ethane;N-(2-methylphenyl)methanesulfonamide;molecular hydrogen

C10H19NO2S — CID 143063933

IUPACethane;N-(2-methylphenyl)methanesulfonamide;molecular hydrogen
SMILESCC.Cc1ccccc1NS(C)(=O)=O.[H][H]
InChIInChI=1S/C8H11NO2S.C2H6.H2/c1-7-5-3-4-6-8(7)9-12(2,10)11;1-2;/h3-6,9H,1-2H3;1-2H3;1H
InChIKeyRTZXNDKBMAZKCK-UHFFFAOYSA-N
MW217.33 g/mol
LogP2.64
Rot. Bonds2

About ethane;N-(2-methylphenyl)methanesulfonamide;molecular hydrogen

ethane;N-(2-methylphenyl)methanesulfonamide;molecular hydrogen (PubChem CID 143063933) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is ethane;N-(2-methylphenyl)methanesulfonamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;N-(2-methylphenyl)methanesulfonamide;molecular hydrogen
PubChem CID143063933
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Nameethane;N-(2-methylphenyl)methanesulfonamide;molecular hydrogen
SMILESCC.Cc1ccccc1NS(C)(=O)=O.[H][H]
InChIInChI=1S/C8H11NO2S.C2H6.H2/c1-7-5-3-4-6-8(7)9-12(2,10)11;1-2;/h3-6,9H,1-2H3;1-2H3;1H
InChIKeyRTZXNDKBMAZKCK-UHFFFAOYSA-N
XLogP2.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-methylphenyl)methanesulfonamide;molecular hydrogen?
The IUPAC name of ethane;N-(2-methylphenyl)methanesulfonamide;molecular hydrogen (CID 143063933) is ethane;N-(2-methylphenyl)methanesulfonamide;molecular hydrogen.
What is the SMILES notation for ethane;N-(2-methylphenyl)methanesulfonamide;molecular hydrogen?
The canonical SMILES for ethane;N-(2-methylphenyl)methanesulfonamide;molecular hydrogen is CC.Cc1ccccc1NS(C)(=O)=O.[H][H].
What is the InChIKey of ethane;N-(2-methylphenyl)methanesulfonamide;molecular hydrogen?
The InChIKey is RTZXNDKBMAZKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S.C2H6.H2/c1-7-5-3-4-6-8(7)9-12(2,10)11;1-2;/h3-6,9H,1-2H3;1-2H3;1H.
What are the key properties of ethane;N-(2-methylphenyl)methanesulfonamide;molecular hydrogen?
ethane;N-(2-methylphenyl)methanesulfonamide;molecular hydrogen has a molecular weight of 217.33 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-methylphenyl)methanesulfonamide;molecular hydrogen is sourced from PubChem (CID 143063933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).