1-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide

C23H28N4O3S — CID 127041106

IUPAC1-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC2CCN(CCOc3ccccc3-c3ccccc3)CC2)cn1
InChIInChI=1S/C23H28N4O3S/c1-26-18-21(17-24-26)31(28,29)25-20-11-13-27(14-12-20)15-16-30-23-10-6-5-9-22(23)19-7-3-2-4-8-19/h2-10,17-18,20,25H,11-16H2,1H3
InChIKeyLBYKLIVUIXCXNS-UHFFFAOYSA-N
MW440.57 g/mol
LogP2.91
Rot. Bonds8

About 1-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide

1-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide (PubChem CID 127041106) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is 1-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide
PubChem CID127041106
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC Name1-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC2CCN(CCOc3ccccc3-c3ccccc3)CC2)cn1
InChIInChI=1S/C23H28N4O3S/c1-26-18-21(17-24-26)31(28,29)25-20-11-13-27(14-12-20)15-16-30-23-10-6-5-9-22(23)19-7-3-2-4-8-19/h2-10,17-18,20,25H,11-16H2,1H3
InChIKeyLBYKLIVUIXCXNS-UHFFFAOYSA-N
XLogP2.91
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide 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-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide (CID 127041106) is 1-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NC2CCN(CCOc3ccccc3-c3ccccc3)CC2)cn1.
What is the InChIKey of 1-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide?
The InChIKey is LBYKLIVUIXCXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-26-18-21(17-24-26)31(28,29)25-20-11-13-27(14-12-20)15-16-30-23-10-6-5-9-22(23)19-7-3-2-4-8-19/h2-10,17-18,20,25H,11-16H2,1H3.
What are the key properties of 1-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide?
1-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide has a molecular weight of 440.57 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 127041106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).