N-[1-(2-chloroquinoline-6-carbonyl)piperidin-4-yl]benzenesulfonamide

C21H20ClN3O3S — CID 55731324

IUPACN-[1-(2-chloroquinoline-6-carbonyl)piperidin-4-yl]benzenesulfonamide
SMILESO=C(c1ccc2nc(Cl)ccc2c1)N1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C21H20ClN3O3S/c22-20-9-7-15-14-16(6-8-19(15)23-20)21(26)25-12-10-17(11-13-25)24-29(27,28)18-4-2-1-3-5-18/h1-9,14,17,24H,10-13H2
InChIKeyALZPXAUSVCOTII-UHFFFAOYSA-N
MW429.93 g/mol
LogP3.47
Rot. Bonds4

About N-[1-(2-chloroquinoline-6-carbonyl)piperidin-4-yl]benzenesulfonamide

N-[1-(2-chloroquinoline-6-carbonyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 55731324) has the molecular formula C21H20ClN3O3S and a molecular weight of 429.93 g/mol. Its IUPAC name is N-[1-(2-chloroquinoline-6-carbonyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2-chloroquinoline-6-carbonyl)piperidin-4-yl]benzenesulfonamide
PubChem CID55731324
Molecular FormulaC21H20ClN3O3S
Molecular Weight429.93 g/mol
Exact Mass429.09
IUPAC NameN-[1-(2-chloroquinoline-6-carbonyl)piperidin-4-yl]benzenesulfonamide
SMILESO=C(c1ccc2nc(Cl)ccc2c1)N1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C21H20ClN3O3S/c22-20-9-7-15-14-16(6-8-19(15)23-20)21(26)25-12-10-17(11-13-25)24-29(27,28)18-4-2-1-3-5-18/h1-9,14,17,24H,10-13H2
InChIKeyALZPXAUSVCOTII-UHFFFAOYSA-N
XLogP3.47
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.93
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-(2-chloroquinoline-6-carbonyl)piperidin-4-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3-cyanobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 33161452
4-chloro-N-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 127219140
N-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 33332472
N-[3-[4-(benzenesulfonamido)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 55634720
N-[1-(4-butylbenzoyl)piperidin-4-yl]benzenesulfonamide
CID 41470537
N-[1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 55790604
N-cyclopropyl-3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 119622166
N-[1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 41470534
N-[1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidin-4-yl]benzenesulfonamide
CID 30797122
(2-chloroquinolin-6-yl)-(2-phenylpyrrolidin-1-yl)methanone
CID 55731293
3-[4-(aminomethyl)piperidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
CID 119423037
3,4-dimethyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563684

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloroquinoline-6-carbonyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of N-[1-(2-chloroquinoline-6-carbonyl)piperidin-4-yl]benzenesulfonamide (CID 55731324) is N-[1-(2-chloroquinoline-6-carbonyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-(2-chloroquinoline-6-carbonyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-[1-(2-chloroquinoline-6-carbonyl)piperidin-4-yl]benzenesulfonamide is O=C(c1ccc2nc(Cl)ccc2c1)N1CCC(NS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[1-(2-chloroquinoline-6-carbonyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is ALZPXAUSVCOTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3S/c22-20-9-7-15-14-16(6-8-19(15)23-20)21(26)25-12-10-17(11-13-25)24-29(27,28)18-4-2-1-3-5-18/h1-9,14,17,24H,10-13H2.
What are the key properties of N-[1-(2-chloroquinoline-6-carbonyl)piperidin-4-yl]benzenesulfonamide?
N-[1-(2-chloroquinoline-6-carbonyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 429.93 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloroquinoline-6-carbonyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 55731324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).