N-ethyl-6-(4-hydroxypiperidin-1-yl)-N-phenylpyridine-3-sulfonamide

C18H23N3O3S — CID 9196102

IUPACN-ethyl-6-(4-hydroxypiperidin-1-yl)-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCC(O)CC2)nc1
InChIInChI=1S/C18H23N3O3S/c1-2-21(15-6-4-3-5-7-15)25(23,24)17-8-9-18(19-14-17)20-12-10-16(22)11-13-20/h3-9,14,16,22H,2,10-13H2,1H3
InChIKeyUTXPQKSUQJVLHR-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.26
Rot. Bonds5

About N-ethyl-6-(4-hydroxypiperidin-1-yl)-N-phenylpyridine-3-sulfonamide

N-ethyl-6-(4-hydroxypiperidin-1-yl)-N-phenylpyridine-3-sulfonamide (PubChem CID 9196102) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-ethyl-6-(4-hydroxypiperidin-1-yl)-N-phenylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-6-(4-hydroxypiperidin-1-yl)-N-phenylpyridine-3-sulfonamide
PubChem CID9196102
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-ethyl-6-(4-hydroxypiperidin-1-yl)-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCC(O)CC2)nc1
InChIInChI=1S/C18H23N3O3S/c1-2-21(15-6-4-3-5-7-15)25(23,24)17-8-9-18(19-14-17)20-12-10-16(22)11-13-20/h3-9,14,16,22H,2,10-13H2,1H3
InChIKeyUTXPQKSUQJVLHR-UHFFFAOYSA-N
XLogP2.26
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(4-hydroxypiperidin-1-yl)-N-phenylpyridine-3-sulfonamide?
The IUPAC name of N-ethyl-6-(4-hydroxypiperidin-1-yl)-N-phenylpyridine-3-sulfonamide (CID 9196102) is N-ethyl-6-(4-hydroxypiperidin-1-yl)-N-phenylpyridine-3-sulfonamide.
What is the SMILES notation for N-ethyl-6-(4-hydroxypiperidin-1-yl)-N-phenylpyridine-3-sulfonamide?
The canonical SMILES for N-ethyl-6-(4-hydroxypiperidin-1-yl)-N-phenylpyridine-3-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCC(O)CC2)nc1.
What is the InChIKey of N-ethyl-6-(4-hydroxypiperidin-1-yl)-N-phenylpyridine-3-sulfonamide?
The InChIKey is UTXPQKSUQJVLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-2-21(15-6-4-3-5-7-15)25(23,24)17-8-9-18(19-14-17)20-12-10-16(22)11-13-20/h3-9,14,16,22H,2,10-13H2,1H3.
What are the key properties of N-ethyl-6-(4-hydroxypiperidin-1-yl)-N-phenylpyridine-3-sulfonamide?
N-ethyl-6-(4-hydroxypiperidin-1-yl)-N-phenylpyridine-3-sulfonamide has a molecular weight of 361.47 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(4-hydroxypiperidin-1-yl)-N-phenylpyridine-3-sulfonamide is sourced from PubChem (CID 9196102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).