4-chloro-N-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]benzenesulfonamide

C17H17Cl2N3O3S — CID 127219140

IUPAC4-chloro-N-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]benzenesulfonamide
SMILESO=C(c1ccnc(Cl)c1)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H17Cl2N3O3S/c18-13-1-3-15(4-2-13)26(24,25)21-14-6-9-22(10-7-14)17(23)12-5-8-20-16(19)11-12/h1-5,8,11,14,21H,6-7,9-10H2
InChIKeyQXSHUEZVTUEQOF-UHFFFAOYSA-N
MW414.31 g/mol
LogP2.97
Rot. Bonds4

About 4-chloro-N-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]benzenesulfonamide

4-chloro-N-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 127219140) has the molecular formula C17H17Cl2N3O3S and a molecular weight of 414.31 g/mol. Its IUPAC name is 4-chloro-N-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]benzenesulfonamide
PubChem CID127219140
Molecular FormulaC17H17Cl2N3O3S
Molecular Weight414.31 g/mol
Exact Mass413.04
IUPAC Name4-chloro-N-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]benzenesulfonamide
SMILESO=C(c1ccnc(Cl)c1)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H17Cl2N3O3S/c18-13-1-3-15(4-2-13)26(24,25)21-14-6-9-22(10-7-14)17(23)12-5-8-20-16(19)11-12/h1-5,8,11,14,21H,6-7,9-10H2
InChIKeyQXSHUEZVTUEQOF-UHFFFAOYSA-N
XLogP2.97
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-chloro-4-pyridinyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 89194471
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(2-chloro-4-pyridinyl)methanone
CID 34182939
N-[4-[[1-(4-chlorobenzoyl)piperidin-4-yl]sulfamoyl]phenyl]acetamide
CID 108563915
4-methyl-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108564412
N-[1-(2-chloroquinoline-6-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 55731324
1-(2-chloropyridine-4-carbonyl)-N-cyclopentylpiperidine-3-sulfonamide
CID 75476198
(2-chloro-4-pyridinyl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone
CID 71998533
4-[4-(5-chloro-2-fluorobenzoyl)piperazine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
CID 55724450
N-[1-(2-chloro-4-pyridinyl)piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 133373762
4-fluoro-N-[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]benzenesulfonamide
CID 34342091
azetidin-1-yl-(2-chloro-4-pyridinyl)methanone
CID 58113908
N-cyclopropyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 30690904

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]benzenesulfonamide (CID 127219140) is 4-chloro-N-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]benzenesulfonamide is O=C(c1ccnc(Cl)c1)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-chloro-N-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is QXSHUEZVTUEQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O3S/c18-13-1-3-15(4-2-13)26(24,25)21-14-6-9-22(10-7-14)17(23)12-5-8-20-16(19)11-12/h1-5,8,11,14,21H,6-7,9-10H2.
What are the key properties of 4-chloro-N-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]benzenesulfonamide?
4-chloro-N-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 414.31 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 127219140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).