4-(4-pyridin-3-yloxypiperidine-1-carbonyl)benzenesulfonamide

C17H19N3O4S — CID 77094306

IUPAC4-(4-pyridin-3-yloxypiperidine-1-carbonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCC(Oc3cccnc3)CC2)cc1
InChIInChI=1S/C17H19N3O4S/c18-25(22,23)16-5-3-13(4-6-16)17(21)20-10-7-14(8-11-20)24-15-2-1-9-19-12-15/h1-6,9,12,14H,7-8,10-11H2,(H2,18,22,23)
InChIKeyCBNXRKWBCHRXNN-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.41
Rot. Bonds4

About 4-(4-pyridin-3-yloxypiperidine-1-carbonyl)benzenesulfonamide

4-(4-pyridin-3-yloxypiperidine-1-carbonyl)benzenesulfonamide (PubChem CID 77094306) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is 4-(4-pyridin-3-yloxypiperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-pyridin-3-yloxypiperidine-1-carbonyl)benzenesulfonamide
PubChem CID77094306
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name4-(4-pyridin-3-yloxypiperidine-1-carbonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCC(Oc3cccnc3)CC2)cc1
InChIInChI=1S/C17H19N3O4S/c18-25(22,23)16-5-3-13(4-6-16)17(21)20-10-7-14(8-11-20)24-15-2-1-9-19-12-15/h1-6,9,12,14H,7-8,10-11H2,(H2,18,22,23)
InChIKeyCBNXRKWBCHRXNN-UHFFFAOYSA-N
XLogP1.41
TPSA102.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-pyridin-3-yloxypiperidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone
CID 90649725
4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
CID 53235099
pyridin-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
CID 110876433
[4-(1,5-dimethylpyrazol-4-yl)phenyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 122566404
(4-pyridin-3-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 90565963
[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 56756758
1-benzofuran-2-yl-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 90566033
(4-aminophenyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119725091
(5-bromo-2-pyridinyl)-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 56643230
[4-(3-methylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95811353
2-(4-propan-2-ylsulfonylphenyl)-1-(4-pyridin-3-yloxypiperidin-1-yl)ethanone
CID 90566081
[6-[[(1R)-1-cyclopropylethyl]amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 28851005

Frequently Asked Questions

What is the IUPAC name of 4-(4-pyridin-3-yloxypiperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 4-(4-pyridin-3-yloxypiperidine-1-carbonyl)benzenesulfonamide (CID 77094306) is 4-(4-pyridin-3-yloxypiperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-pyridin-3-yloxypiperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 4-(4-pyridin-3-yloxypiperidine-1-carbonyl)benzenesulfonamide is NS(=O)(=O)c1ccc(C(=O)N2CCC(Oc3cccnc3)CC2)cc1.
What is the InChIKey of 4-(4-pyridin-3-yloxypiperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is CBNXRKWBCHRXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c18-25(22,23)16-5-3-13(4-6-16)17(21)20-10-7-14(8-11-20)24-15-2-1-9-19-12-15/h1-6,9,12,14H,7-8,10-11H2,(H2,18,22,23).
What are the key properties of 4-(4-pyridin-3-yloxypiperidine-1-carbonyl)benzenesulfonamide?
4-(4-pyridin-3-yloxypiperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 361.42 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyridin-3-yloxypiperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 77094306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).