1-(4-butylphenyl)sulfonyl-N-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine

C22H27ClN2O3S — CID 91572906

IUPAC1-(4-butylphenyl)sulfonyl-N-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine
SMILESCCCCc1ccc(S(=O)(=O)N2CC=C(NOCc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C22H27ClN2O3S/c1-2-3-4-18-7-11-22(12-8-18)29(26,27)25-15-13-21(14-16-25)24-28-17-19-5-9-20(23)10-6-19/h5-13,24H,2-4,14-17H2,1H3
InChIKeyQZIAJAVKCQQEAF-UHFFFAOYSA-N
MW434.99 g/mol
LogP4.68
Rot. Bonds9

About 1-(4-butylphenyl)sulfonyl-N-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine

1-(4-butylphenyl)sulfonyl-N-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine (PubChem CID 91572906) has the molecular formula C22H27ClN2O3S and a molecular weight of 434.99 g/mol. Its IUPAC name is 1-(4-butylphenyl)sulfonyl-N-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine.

Molecular Properties

Compound Name1-(4-butylphenyl)sulfonyl-N-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine
PubChem CID91572906
Molecular FormulaC22H27ClN2O3S
Molecular Weight434.99 g/mol
Exact Mass434.14
IUPAC Name1-(4-butylphenyl)sulfonyl-N-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine
SMILESCCCCc1ccc(S(=O)(=O)N2CC=C(NOCc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C22H27ClN2O3S/c1-2-3-4-18-7-11-22(12-8-18)29(26,27)25-15-13-21(14-16-25)24-28-17-19-5-9-20(23)10-6-19/h5-13,24H,2-4,14-17H2,1H3
InChIKeyQZIAJAVKCQQEAF-UHFFFAOYSA-N
XLogP4.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.99
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(4-butylphenyl)sulfonyl-N-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine 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 1-(4-butylphenyl)sulfonyl-N-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine?
The IUPAC name of 1-(4-butylphenyl)sulfonyl-N-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine (CID 91572906) is 1-(4-butylphenyl)sulfonyl-N-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine.
What is the SMILES notation for 1-(4-butylphenyl)sulfonyl-N-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine?
The canonical SMILES for 1-(4-butylphenyl)sulfonyl-N-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine is CCCCc1ccc(S(=O)(=O)N2CC=C(NOCc3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 1-(4-butylphenyl)sulfonyl-N-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine?
The InChIKey is QZIAJAVKCQQEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O3S/c1-2-3-4-18-7-11-22(12-8-18)29(26,27)25-15-13-21(14-16-25)24-28-17-19-5-9-20(23)10-6-19/h5-13,24H,2-4,14-17H2,1H3.
What are the key properties of 1-(4-butylphenyl)sulfonyl-N-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine?
1-(4-butylphenyl)sulfonyl-N-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine has a molecular weight of 434.99 g/mol, XLogP of 4.68, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)sulfonyl-N-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine is sourced from PubChem (CID 91572906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).