N-[5-chloro-6-(1-phenylpiperidin-4-yl)oxy-3-pyridinyl]-2-methylbenzenesulfonamide

C23H24ClN3O3S — CID 73352278

IUPACN-[5-chloro-6-(1-phenylpiperidin-4-yl)oxy-3-pyridinyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1cnc(OC2CCN(c3ccccc3)CC2)c(Cl)c1
InChIInChI=1S/C23H24ClN3O3S/c1-17-7-5-6-10-22(17)31(28,29)26-18-15-21(24)23(25-16-18)30-20-11-13-27(14-12-20)19-8-3-2-4-9-19/h2-10,15-16,20,26H,11-14H2,1H3
InChIKeyZAMIYNCCVNSHEI-UHFFFAOYSA-N
MW457.98 g/mol
LogP4.89
Rot. Bonds6

About N-[5-chloro-6-(1-phenylpiperidin-4-yl)oxy-3-pyridinyl]-2-methylbenzenesulfonamide

N-[5-chloro-6-(1-phenylpiperidin-4-yl)oxy-3-pyridinyl]-2-methylbenzenesulfonamide (PubChem CID 73352278) has the molecular formula C23H24ClN3O3S and a molecular weight of 457.98 g/mol. Its IUPAC name is N-[5-chloro-6-(1-phenylpiperidin-4-yl)oxy-3-pyridinyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-chloro-6-(1-phenylpiperidin-4-yl)oxy-3-pyridinyl]-2-methylbenzenesulfonamide
PubChem CID73352278
Molecular FormulaC23H24ClN3O3S
Molecular Weight457.98 g/mol
Exact Mass457.12
IUPAC NameN-[5-chloro-6-(1-phenylpiperidin-4-yl)oxy-3-pyridinyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1cnc(OC2CCN(c3ccccc3)CC2)c(Cl)c1
InChIInChI=1S/C23H24ClN3O3S/c1-17-7-5-6-10-22(17)31(28,29)26-18-15-21(24)23(25-16-18)30-20-11-13-27(14-12-20)19-8-3-2-4-9-19/h2-10,15-16,20,26H,11-14H2,1H3
InChIKeyZAMIYNCCVNSHEI-UHFFFAOYSA-N
XLogP4.89
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.98
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-chloro-6-(1-phenylpiperidin-4-yl)oxy-3-pyridinyl]-2-methylbenzenesulfonamide 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-[5-chloro-6-(1-phenylpiperidin-4-yl)oxy-3-pyridinyl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[5-chloro-6-(1-phenylpiperidin-4-yl)oxy-3-pyridinyl]-2-methylbenzenesulfonamide (CID 73352278) is N-[5-chloro-6-(1-phenylpiperidin-4-yl)oxy-3-pyridinyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-chloro-6-(1-phenylpiperidin-4-yl)oxy-3-pyridinyl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[5-chloro-6-(1-phenylpiperidin-4-yl)oxy-3-pyridinyl]-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)Nc1cnc(OC2CCN(c3ccccc3)CC2)c(Cl)c1.
What is the InChIKey of N-[5-chloro-6-(1-phenylpiperidin-4-yl)oxy-3-pyridinyl]-2-methylbenzenesulfonamide?
The InChIKey is ZAMIYNCCVNSHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3S/c1-17-7-5-6-10-22(17)31(28,29)26-18-15-21(24)23(25-16-18)30-20-11-13-27(14-12-20)19-8-3-2-4-9-19/h2-10,15-16,20,26H,11-14H2,1H3.
What are the key properties of N-[5-chloro-6-(1-phenylpiperidin-4-yl)oxy-3-pyridinyl]-2-methylbenzenesulfonamide?
N-[5-chloro-6-(1-phenylpiperidin-4-yl)oxy-3-pyridinyl]-2-methylbenzenesulfonamide has a molecular weight of 457.98 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-6-(1-phenylpiperidin-4-yl)oxy-3-pyridinyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 73352278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).