6-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyridine-3-sulfonamide

C15H16ClN3O4S — CID 24627279

IUPAC6-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyridine-3-sulfonamide
SMILESO=C(c1ccco1)N1CCC(NS(=O)(=O)c2ccc(Cl)nc2)CC1
InChIInChI=1S/C15H16ClN3O4S/c16-14-4-3-12(10-17-14)24(21,22)18-11-5-7-19(8-6-11)15(20)13-2-1-9-23-13/h1-4,9-11,18H,5-8H2
InChIKeyLRGKCECBRAEIPV-UHFFFAOYSA-N
MW369.83 g/mol
LogP1.91
Rot. Bonds4

About 6-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyridine-3-sulfonamide

6-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyridine-3-sulfonamide (PubChem CID 24627279) has the molecular formula C15H16ClN3O4S and a molecular weight of 369.83 g/mol. Its IUPAC name is 6-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyridine-3-sulfonamide
PubChem CID24627279
Molecular FormulaC15H16ClN3O4S
Molecular Weight369.83 g/mol
Exact Mass369.06
IUPAC Name6-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyridine-3-sulfonamide
SMILESO=C(c1ccco1)N1CCC(NS(=O)(=O)c2ccc(Cl)nc2)CC1
InChIInChI=1S/C15H16ClN3O4S/c16-14-4-3-12(10-17-14)24(21,22)18-11-5-7-19(8-6-11)15(20)13-2-1-9-23-13/h1-4,9-11,18H,5-8H2
InChIKeyLRGKCECBRAEIPV-UHFFFAOYSA-N
XLogP1.91
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 71846455
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 46656593
6-chloro-N-cyclooctylpyridine-3-sulfonamide
CID 7938157
N-[1-(furan-2-carbonyl)piperidin-4-yl]-1-phenylmethanesulfonamide
CID 110820123
[4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone
CID 71896264
6-chloro-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]pyridine-3-sulfonamide
CID 97012651
4-chloro-N-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 127219140
N-cyclopropyl-4-[[1-(furan-2-carbonyl)-2,3,6,7-tetrahydroazepin-4-yl]methylsulfonyl]benzenesulfonamide
CID 130460936
(E)-3-[4-(ethylsulfamoyl)phenyl]-N-[1-(furan-2-carbonyl)piperidin-4-yl]prop-2-enamide
CID 55678336
2-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]benzamide
CID 46420508
furan-2-yl-[4-[(5-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone
CID 18144589
[4-[5-(cyclopropylamino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109271816

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyridine-3-sulfonamide (CID 24627279) is 6-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyridine-3-sulfonamide is O=C(c1ccco1)N1CCC(NS(=O)(=O)c2ccc(Cl)nc2)CC1.
What is the InChIKey of 6-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyridine-3-sulfonamide?
The InChIKey is LRGKCECBRAEIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O4S/c16-14-4-3-12(10-17-14)24(21,22)18-11-5-7-19(8-6-11)15(20)13-2-1-9-23-13/h1-4,9-11,18H,5-8H2.
What are the key properties of 6-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyridine-3-sulfonamide?
6-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyridine-3-sulfonamide has a molecular weight of 369.83 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 24627279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).