4-methyl-N-(methylsulfamoyl)aniline

C8H12N2O2S — CID 25044572

IUPAC4-methyl-N-(methylsulfamoyl)aniline
SMILESCNS(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C8H12N2O2S/c1-7-3-5-8(6-4-7)10-13(11,12)9-2/h3-6,9-10H,1-2H3
InChIKeyHERQHRVZKJTIJQ-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.87
Rot. Bonds3

About 4-methyl-N-(methylsulfamoyl)aniline

4-methyl-N-(methylsulfamoyl)aniline (PubChem CID 25044572) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 4-methyl-N-(methylsulfamoyl)aniline.

Molecular Properties

Compound Name4-methyl-N-(methylsulfamoyl)aniline
PubChem CID25044572
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name4-methyl-N-(methylsulfamoyl)aniline
SMILESCNS(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C8H12N2O2S/c1-7-3-5-8(6-4-7)10-13(11,12)9-2/h3-6,9-10H,1-2H3
InChIKeyHERQHRVZKJTIJQ-UHFFFAOYSA-N
XLogP0.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(methylsulfamoyl)aniline?
The IUPAC name of 4-methyl-N-(methylsulfamoyl)aniline (CID 25044572) is 4-methyl-N-(methylsulfamoyl)aniline.
What is the SMILES notation for 4-methyl-N-(methylsulfamoyl)aniline?
The canonical SMILES for 4-methyl-N-(methylsulfamoyl)aniline is CNS(=O)(=O)Nc1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-(methylsulfamoyl)aniline?
The InChIKey is HERQHRVZKJTIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-7-3-5-8(6-4-7)10-13(11,12)9-2/h3-6,9-10H,1-2H3.
What are the key properties of 4-methyl-N-(methylsulfamoyl)aniline?
4-methyl-N-(methylsulfamoyl)aniline has a molecular weight of 200.26 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(methylsulfamoyl)aniline is sourced from PubChem (CID 25044572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).