N-(phenylsulfamoyl)aniline

C12H12N2O2S — CID 10918426

IUPACN-(phenylsulfamoyl)aniline
SMILESO=S(=O)(Nc1ccccc1)Nc1ccccc1
InChIInChI=1S/C12H12N2O2S/c15-17(16,13-11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h1-10,13-14H
InChIKeyZDZVWJQUOACMTH-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.46
Rot. Bonds4

About N-(phenylsulfamoyl)aniline

N-(phenylsulfamoyl)aniline (PubChem CID 10918426) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is N-(phenylsulfamoyl)aniline.

Molecular Properties

Compound NameN-(phenylsulfamoyl)aniline
PubChem CID10918426
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC NameN-(phenylsulfamoyl)aniline
SMILESO=S(=O)(Nc1ccccc1)Nc1ccccc1
InChIInChI=1S/C12H12N2O2S/c15-17(16,13-11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h1-10,13-14H
InChIKeyZDZVWJQUOACMTH-UHFFFAOYSA-N
XLogP2.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_E(2)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(phenylsulfamoyl)aniline?
The IUPAC name of N-(phenylsulfamoyl)aniline (CID 10918426) is N-(phenylsulfamoyl)aniline.
What is the SMILES notation for N-(phenylsulfamoyl)aniline?
The canonical SMILES for N-(phenylsulfamoyl)aniline is O=S(=O)(Nc1ccccc1)Nc1ccccc1.
What is the InChIKey of N-(phenylsulfamoyl)aniline?
The InChIKey is ZDZVWJQUOACMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c15-17(16,13-11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h1-10,13-14H.
What are the key properties of N-(phenylsulfamoyl)aniline?
N-(phenylsulfamoyl)aniline has a molecular weight of 248.31 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(phenylsulfamoyl)aniline is sourced from PubChem (CID 10918426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).