N-(methylsulfamoyl)-2-phenylaniline

C13H14N2O2S — CID 19906873

IUPACN-(methylsulfamoyl)-2-phenylaniline
SMILESCNS(=O)(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C13H14N2O2S/c1-14-18(16,17)15-13-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-10,14-15H,1H3
InChIKeyONHHWGJBUKJUON-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.23
Rot. Bonds4

About N-(methylsulfamoyl)-2-phenylaniline

N-(methylsulfamoyl)-2-phenylaniline (PubChem CID 19906873) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-(methylsulfamoyl)-2-phenylaniline.

Molecular Properties

Compound NameN-(methylsulfamoyl)-2-phenylaniline
PubChem CID19906873
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC NameN-(methylsulfamoyl)-2-phenylaniline
SMILESCNS(=O)(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C13H14N2O2S/c1-14-18(16,17)15-13-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-10,14-15H,1H3
InChIKeyONHHWGJBUKJUON-UHFFFAOYSA-N
XLogP2.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(methylsulfamoyl)-2-phenylaniline?
The IUPAC name of N-(methylsulfamoyl)-2-phenylaniline (CID 19906873) is N-(methylsulfamoyl)-2-phenylaniline.
What is the SMILES notation for N-(methylsulfamoyl)-2-phenylaniline?
The canonical SMILES for N-(methylsulfamoyl)-2-phenylaniline is CNS(=O)(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of N-(methylsulfamoyl)-2-phenylaniline?
The InChIKey is ONHHWGJBUKJUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-14-18(16,17)15-13-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-10,14-15H,1H3.
What are the key properties of N-(methylsulfamoyl)-2-phenylaniline?
N-(methylsulfamoyl)-2-phenylaniline has a molecular weight of 262.33 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylsulfamoyl)-2-phenylaniline is sourced from PubChem (CID 19906873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).