N-phenyl-4-(sulfonylamino)aniline;toluene

C19H18N2O2S — CID 88633160

IUPACN-phenyl-4-(sulfonylamino)aniline;toluene
SMILESCc1ccccc1.O=S(=O)=Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C12H10N2O2S.C7H8/c15-17(16)14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10;1-7-5-3-2-4-6-7/h1-9,13H;2-6H,1H3
InChIKeyMSTLKMMLRQXADL-UHFFFAOYSA-N
MW338.43 g/mol
LogP5.12
Rot. Bonds3

About N-phenyl-4-(sulfonylamino)aniline;toluene

N-phenyl-4-(sulfonylamino)aniline;toluene (PubChem CID 88633160) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-phenyl-4-(sulfonylamino)aniline;toluene.

Molecular Properties

Compound NameN-phenyl-4-(sulfonylamino)aniline;toluene
PubChem CID88633160
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC NameN-phenyl-4-(sulfonylamino)aniline;toluene
SMILESCc1ccccc1.O=S(=O)=Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C12H10N2O2S.C7H8/c15-17(16)14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10;1-7-5-3-2-4-6-7/h1-9,13H;2-6H,1H3
InChIKeyMSTLKMMLRQXADL-UHFFFAOYSA-N
XLogP5.12
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.43
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-phenyl-4-(sulfonylamino)aniline;toluene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-(sulfonylamino)aniline;toluene?
The IUPAC name of N-phenyl-4-(sulfonylamino)aniline;toluene (CID 88633160) is N-phenyl-4-(sulfonylamino)aniline;toluene.
What is the SMILES notation for N-phenyl-4-(sulfonylamino)aniline;toluene?
The canonical SMILES for N-phenyl-4-(sulfonylamino)aniline;toluene is Cc1ccccc1.O=S(=O)=Nc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of N-phenyl-4-(sulfonylamino)aniline;toluene?
The InChIKey is MSTLKMMLRQXADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S.C7H8/c15-17(16)14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10;1-7-5-3-2-4-6-7/h1-9,13H;2-6H,1H3.
What are the key properties of N-phenyl-4-(sulfonylamino)aniline;toluene?
N-phenyl-4-(sulfonylamino)aniline;toluene has a molecular weight of 338.43 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-(sulfonylamino)aniline;toluene is sourced from PubChem (CID 88633160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).