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

C17H22ClN3O3S — CID 110302582

IUPAC6-chloro-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]pyridine-3-sulfonamide
SMILESCC1CCN(C(CNS(=O)(=O)c2ccc(Cl)nc2)c2ccco2)CC1
InChIInChI=1S/C17H22ClN3O3S/c1-13-6-8-21(9-7-13)15(16-3-2-10-24-16)12-20-25(22,23)14-4-5-17(18)19-11-14/h2-5,10-11,13,15,20H,6-9,12H2,1H3
InChIKeyGNLBLPKUSAEPEY-UHFFFAOYSA-N
MW383.90 g/mol
LogP3.08
Rot. Bonds6

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

6-chloro-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]pyridine-3-sulfonamide (PubChem CID 110302582) has the molecular formula C17H22ClN3O3S and a molecular weight of 383.90 g/mol. Its IUPAC name is 6-chloro-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]pyridine-3-sulfonamide
PubChem CID110302582
Molecular FormulaC17H22ClN3O3S
Molecular Weight383.90 g/mol
Exact Mass383.11
IUPAC Name6-chloro-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]pyridine-3-sulfonamide
SMILESCC1CCN(C(CNS(=O)(=O)c2ccc(Cl)nc2)c2ccco2)CC1
InChIInChI=1S/C17H22ClN3O3S/c1-13-6-8-21(9-7-13)15(16-3-2-10-24-16)12-20-25(22,23)14-4-5-17(18)19-11-14/h2-5,10-11,13,15,20H,6-9,12H2,1H3
InChIKeyGNLBLPKUSAEPEY-UHFFFAOYSA-N
XLogP3.08
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.90
LogP ≤ 53.08
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

6-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]pyridine-3-sulfonamide
CID 86767944
4-chloro-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 7243475
N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methylpyrazole-4-sulfonamide
CID 124877821
6-chloro-N-(2-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide
CID 110301549
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 51169408
N-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 7163117
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylsulfonylbenzenesulfonamide
CID 55559240
6-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
CID 61215514
2-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-methylsulfonylbenzenesulfonamide
CID 47070129
N-(ethylsulfamoyl)-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 110621642
6-chloro-N-(2-ethylbutyl)pyridine-3-sulfonamide
CID 115613422
4-bromo-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide;hydrochloride
CID 52985470

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]pyridine-3-sulfonamide (CID 110302582) is 6-chloro-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]pyridine-3-sulfonamide is CC1CCN(C(CNS(=O)(=O)c2ccc(Cl)nc2)c2ccco2)CC1.
What is the InChIKey of 6-chloro-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]pyridine-3-sulfonamide?
The InChIKey is GNLBLPKUSAEPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O3S/c1-13-6-8-21(9-7-13)15(16-3-2-10-24-16)12-20-25(22,23)14-4-5-17(18)19-11-14/h2-5,10-11,13,15,20H,6-9,12H2,1H3.
What are the key properties of 6-chloro-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]pyridine-3-sulfonamide?
6-chloro-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]pyridine-3-sulfonamide has a molecular weight of 383.90 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 110302582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).