ethane;N-(methylsulfamoyl)aniline

C9H16N2O2S — CID 91119809

IUPACethane;N-(methylsulfamoyl)aniline
SMILESCC.CNS(=O)(=O)Nc1ccccc1
InChIInChI=1S/C7H10N2O2S.C2H6/c1-8-12(10,11)9-7-5-3-2-4-6-7;1-2/h2-6,8-9H,1H3;1-2H3
InChIKeyWWGWKINBMZOXKU-UHFFFAOYSA-N
MW216.31 g/mol
LogP1.59
Rot. Bonds3

About ethane;N-(methylsulfamoyl)aniline

ethane;N-(methylsulfamoyl)aniline (PubChem CID 91119809) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is ethane;N-(methylsulfamoyl)aniline.

Molecular Properties

Compound Nameethane;N-(methylsulfamoyl)aniline
PubChem CID91119809
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Nameethane;N-(methylsulfamoyl)aniline
SMILESCC.CNS(=O)(=O)Nc1ccccc1
InChIInChI=1S/C7H10N2O2S.C2H6/c1-8-12(10,11)9-7-5-3-2-4-6-7;1-2/h2-6,8-9H,1H3;1-2H3
InChIKeyWWGWKINBMZOXKU-UHFFFAOYSA-N
XLogP1.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(methylsulfamoyl)aniline?
The IUPAC name of ethane;N-(methylsulfamoyl)aniline (CID 91119809) is ethane;N-(methylsulfamoyl)aniline.
What is the SMILES notation for ethane;N-(methylsulfamoyl)aniline?
The canonical SMILES for ethane;N-(methylsulfamoyl)aniline is CC.CNS(=O)(=O)Nc1ccccc1.
What is the InChIKey of ethane;N-(methylsulfamoyl)aniline?
The InChIKey is WWGWKINBMZOXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S.C2H6/c1-8-12(10,11)9-7-5-3-2-4-6-7;1-2/h2-6,8-9H,1H3;1-2H3.
What are the key properties of ethane;N-(methylsulfamoyl)aniline?
ethane;N-(methylsulfamoyl)aniline has a molecular weight of 216.31 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(methylsulfamoyl)aniline is sourced from PubChem (CID 91119809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).