N-ethyl-6-[4-(hydroxymethyl)piperidin-1-yl]-N-phenylpyridine-3-sulfonamide

C19H25N3O3S — CID 60504570

IUPACN-ethyl-6-[4-(hydroxymethyl)piperidin-1-yl]-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCC(CO)CC2)nc1
InChIInChI=1S/C19H25N3O3S/c1-2-22(17-6-4-3-5-7-17)26(24,25)18-8-9-19(20-14-18)21-12-10-16(15-23)11-13-21/h3-9,14,16,23H,2,10-13,15H2,1H3
InChIKeyVJLVYTUCSSNFDD-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.51
Rot. Bonds6

About N-ethyl-6-[4-(hydroxymethyl)piperidin-1-yl]-N-phenylpyridine-3-sulfonamide

N-ethyl-6-[4-(hydroxymethyl)piperidin-1-yl]-N-phenylpyridine-3-sulfonamide (PubChem CID 60504570) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-ethyl-6-[4-(hydroxymethyl)piperidin-1-yl]-N-phenylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-6-[4-(hydroxymethyl)piperidin-1-yl]-N-phenylpyridine-3-sulfonamide
PubChem CID60504570
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN-ethyl-6-[4-(hydroxymethyl)piperidin-1-yl]-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCC(CO)CC2)nc1
InChIInChI=1S/C19H25N3O3S/c1-2-22(17-6-4-3-5-7-17)26(24,25)18-8-9-19(20-14-18)21-12-10-16(15-23)11-13-21/h3-9,14,16,23H,2,10-13,15H2,1H3
InChIKeyVJLVYTUCSSNFDD-UHFFFAOYSA-N
XLogP2.51
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]piperidine-4-carboxamide
CID 4816078
6-(4-acetylpiperazin-1-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 4816070
N-ethyl-6-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide
CID 71867437
N-ethyl-6-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide
CID 52694397
N-ethyl-6-[2-(furan-2-yl)morpholin-4-yl]-N-phenylpyridine-3-sulfonamide
CID 133347267
6-[4-[4-[ethyl(phenyl)sulfamoyl]benzoyl]piperazin-1-yl]pyridine-3-carboxamide
CID 167784135
N-ethyl-6-[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-phenylpyridine-3-sulfonamide
CID 97244837
6-(cyclohexylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268373
1-[5-(dimethylsulfamoyl)-2-pyridinyl]piperidine-4-carboxylic acid
CID 103340811
6-[4-(2-aminoethyl)piperidin-1-yl]-N,N-dimethylpyridine-3-sulfonamide
CID 103341143
N-ethyl-6-methoxy-N-phenylpyridine-3-sulfonamide
CID 5268434
6-(4-benzoylpiperazin-1-yl)-N,N-diethylpyridine-3-sulfonamide
CID 4878483

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[4-(hydroxymethyl)piperidin-1-yl]-N-phenylpyridine-3-sulfonamide?
The IUPAC name of N-ethyl-6-[4-(hydroxymethyl)piperidin-1-yl]-N-phenylpyridine-3-sulfonamide (CID 60504570) is N-ethyl-6-[4-(hydroxymethyl)piperidin-1-yl]-N-phenylpyridine-3-sulfonamide.
What is the SMILES notation for N-ethyl-6-[4-(hydroxymethyl)piperidin-1-yl]-N-phenylpyridine-3-sulfonamide?
The canonical SMILES for N-ethyl-6-[4-(hydroxymethyl)piperidin-1-yl]-N-phenylpyridine-3-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCC(CO)CC2)nc1.
What is the InChIKey of N-ethyl-6-[4-(hydroxymethyl)piperidin-1-yl]-N-phenylpyridine-3-sulfonamide?
The InChIKey is VJLVYTUCSSNFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-2-22(17-6-4-3-5-7-17)26(24,25)18-8-9-19(20-14-18)21-12-10-16(15-23)11-13-21/h3-9,14,16,23H,2,10-13,15H2,1H3.
What are the key properties of N-ethyl-6-[4-(hydroxymethyl)piperidin-1-yl]-N-phenylpyridine-3-sulfonamide?
N-ethyl-6-[4-(hydroxymethyl)piperidin-1-yl]-N-phenylpyridine-3-sulfonamide has a molecular weight of 375.49 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[4-(hydroxymethyl)piperidin-1-yl]-N-phenylpyridine-3-sulfonamide is sourced from PubChem (CID 60504570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).