2-ethoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide

C19H25N3O3S — CID 121108159

IUPAC2-ethoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCCOc1ccccc1S(=O)(=O)NCC1CCN(c2ccncc2)CC1
InChIInChI=1S/C19H25N3O3S/c1-2-25-18-5-3-4-6-19(18)26(23,24)21-15-16-9-13-22(14-10-16)17-7-11-20-12-8-17/h3-8,11-12,16,21H,2,9-10,13-15H2,1H3
InChIKeyRUOMBSXNIFNZCE-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.68
Rot. Bonds7

About 2-ethoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide

2-ethoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide (PubChem CID 121108159) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 2-ethoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-ethoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide
PubChem CID121108159
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name2-ethoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCCOc1ccccc1S(=O)(=O)NCC1CCN(c2ccncc2)CC1
InChIInChI=1S/C19H25N3O3S/c1-2-25-18-5-3-4-6-19(18)26(23,24)21-15-16-9-13-22(14-10-16)17-7-11-20-12-8-17/h3-8,11-12,16,21H,2,9-10,13-15H2,1H3
InChIKeyRUOMBSXNIFNZCE-UHFFFAOYSA-N
XLogP2.68
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 121108144
2-nitro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 121108163
4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 121108130
2-ethoxy-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 91813138
3-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 86263506
2-ethoxy-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
CID 90621923
2-ethoxy-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 90521882
methyl 3-[(1-pyridin-4-ylpiperidin-4-yl)methylsulfamoyl]thiophene-2-carboxylate
CID 121108182
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2-methoxybenzenesulfonamide
CID 72716897
2-methoxy-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 121109576
3,4-diethoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 121108808
2-bromo-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 121108343

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-ethoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide (CID 121108159) is 2-ethoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-ethoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-ethoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide is CCOc1ccccc1S(=O)(=O)NCC1CCN(c2ccncc2)CC1.
What is the InChIKey of 2-ethoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The InChIKey is RUOMBSXNIFNZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-2-25-18-5-3-4-6-19(18)26(23,24)21-15-16-9-13-22(14-10-16)17-7-11-20-12-8-17/h3-8,11-12,16,21H,2,9-10,13-15H2,1H3.
What are the key properties of 2-ethoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide?
2-ethoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide has a molecular weight of 375.49 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 121108159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).