2-[1-[1-(2-aminophenyl)cyclohexyl]sulfonylcyclohexyl]aniline

C24H32N2O2S — CID 154315491

IUPAC2-[1-[1-(2-aminophenyl)cyclohexyl]sulfonylcyclohexyl]aniline
SMILESNc1ccccc1C1(S(=O)(=O)C2(c3ccccc3N)CCCCC2)CCCCC1
InChIInChI=1S/C24H32N2O2S/c25-21-13-5-3-11-19(21)23(15-7-1-8-16-23)29(27,28)24(17-9-2-10-18-24)20-12-4-6-14-22(20)26/h3-6,11-14H,1-2,7-10,15-18,25-26H2
InChIKeyPBUDMMQNKAVCDJ-UHFFFAOYSA-N
MW412.60 g/mol
LogP5.28
Rot. Bonds4

About 2-[1-[1-(2-aminophenyl)cyclohexyl]sulfonylcyclohexyl]aniline

2-[1-[1-(2-aminophenyl)cyclohexyl]sulfonylcyclohexyl]aniline (PubChem CID 154315491) has the molecular formula C24H32N2O2S and a molecular weight of 412.60 g/mol. Its IUPAC name is 2-[1-[1-(2-aminophenyl)cyclohexyl]sulfonylcyclohexyl]aniline.

Molecular Properties

Compound Name2-[1-[1-(2-aminophenyl)cyclohexyl]sulfonylcyclohexyl]aniline
PubChem CID154315491
Molecular FormulaC24H32N2O2S
Molecular Weight412.60 g/mol
Exact Mass412.22
IUPAC Name2-[1-[1-(2-aminophenyl)cyclohexyl]sulfonylcyclohexyl]aniline
SMILESNc1ccccc1C1(S(=O)(=O)C2(c3ccccc3N)CCCCC2)CCCCC1
InChIInChI=1S/C24H32N2O2S/c25-21-13-5-3-11-19(21)23(15-7-1-8-16-23)29(27,28)24(17-9-2-10-18-24)20-12-4-6-14-22(20)26/h3-6,11-14H,1-2,7-10,15-18,25-26H2
InChIKeyPBUDMMQNKAVCDJ-UHFFFAOYSA-N
XLogP5.28
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.60
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[1-[1-(2-aminophenyl)cyclohexyl]sulfonylcyclohexyl]aniline 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 2-[1-[1-(2-aminophenyl)cyclohexyl]sulfonylcyclohexyl]aniline?
The IUPAC name of 2-[1-[1-(2-aminophenyl)cyclohexyl]sulfonylcyclohexyl]aniline (CID 154315491) is 2-[1-[1-(2-aminophenyl)cyclohexyl]sulfonylcyclohexyl]aniline.
What is the SMILES notation for 2-[1-[1-(2-aminophenyl)cyclohexyl]sulfonylcyclohexyl]aniline?
The canonical SMILES for 2-[1-[1-(2-aminophenyl)cyclohexyl]sulfonylcyclohexyl]aniline is Nc1ccccc1C1(S(=O)(=O)C2(c3ccccc3N)CCCCC2)CCCCC1.
What is the InChIKey of 2-[1-[1-(2-aminophenyl)cyclohexyl]sulfonylcyclohexyl]aniline?
The InChIKey is PBUDMMQNKAVCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2S/c25-21-13-5-3-11-19(21)23(15-7-1-8-16-23)29(27,28)24(17-9-2-10-18-24)20-12-4-6-14-22(20)26/h3-6,11-14H,1-2,7-10,15-18,25-26H2.
What are the key properties of 2-[1-[1-(2-aminophenyl)cyclohexyl]sulfonylcyclohexyl]aniline?
2-[1-[1-(2-aminophenyl)cyclohexyl]sulfonylcyclohexyl]aniline has a molecular weight of 412.60 g/mol, XLogP of 5.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(2-aminophenyl)cyclohexyl]sulfonylcyclohexyl]aniline is sourced from PubChem (CID 154315491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).