4-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]benzenesulfonamide

C18H21N3O4S — CID 56750704

IUPAC4-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCc1ccc(C2(O)CCN(C(=O)c3ccc(S(N)(=O)=O)cc3)CC2)nc1
InChIInChI=1S/C18H21N3O4S/c1-13-2-7-16(20-12-13)18(23)8-10-21(11-9-18)17(22)14-3-5-15(6-4-14)26(19,24)25/h2-7,12,23H,8-11H2,1H3,(H2,19,24,25)
InChIKeyZQBDLYNRMPKEBS-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.16
Rot. Bonds3

About 4-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]benzenesulfonamide

4-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]benzenesulfonamide (PubChem CID 56750704) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 4-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]benzenesulfonamide
PubChem CID56750704
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name4-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCc1ccc(C2(O)CCN(C(=O)c3ccc(S(N)(=O)=O)cc3)CC2)nc1
InChIInChI=1S/C18H21N3O4S/c1-13-2-7-16(20-12-13)18(23)8-10-21(11-9-18)17(22)14-3-5-15(6-4-14)26(19,24)25/h2-7,12,23H,8-11H2,1H3,(H2,19,24,25)
InChIKeyZQBDLYNRMPKEBS-UHFFFAOYSA-N
XLogP1.16
TPSA113.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]benzenesulfonamide 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 4-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 4-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]benzenesulfonamide (CID 56750704) is 4-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 4-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 4-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]benzenesulfonamide is Cc1ccc(C2(O)CCN(C(=O)c3ccc(S(N)(=O)=O)cc3)CC2)nc1.
What is the InChIKey of 4-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is ZQBDLYNRMPKEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-13-2-7-16(20-12-13)18(23)8-10-21(11-9-18)17(22)14-3-5-15(6-4-14)26(19,24)25/h2-7,12,23H,8-11H2,1H3,(H2,19,24,25).
What are the key properties of 4-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]benzenesulfonamide?
4-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]benzenesulfonamide has a molecular weight of 375.45 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 56750704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).