6-chloro-N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide

C17H22ClN3O3S — CID 110302702

IUPAC6-chloro-N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide
SMILESCCOc1ccc(C(CNS(=O)(=O)c2ccc(Cl)nc2)N(C)C)cc1
InChIInChI=1S/C17H22ClN3O3S/c1-4-24-14-7-5-13(6-8-14)16(21(2)3)12-20-25(22,23)15-9-10-17(18)19-11-15/h5-11,16,20H,4,12H2,1-3H3
InChIKeyBAKDIAICANAARP-UHFFFAOYSA-N
MW383.90 g/mol
LogP2.71
Rot. Bonds8

About 6-chloro-N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide

6-chloro-N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide (PubChem CID 110302702) has the molecular formula C17H22ClN3O3S and a molecular weight of 383.90 g/mol. Its IUPAC name is 6-chloro-N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide
PubChem CID110302702
Molecular FormulaC17H22ClN3O3S
Molecular Weight383.90 g/mol
Exact Mass383.11
IUPAC Name6-chloro-N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide
SMILESCCOc1ccc(C(CNS(=O)(=O)c2ccc(Cl)nc2)N(C)C)cc1
InChIInChI=1S/C17H22ClN3O3S/c1-4-24-14-7-5-13(6-8-14)16(21(2)3)12-20-25(22,23)15-9-10-17(18)19-11-15/h5-11,16,20H,4,12H2,1-3H3
InChIKeyBAKDIAICANAARP-UHFFFAOYSA-N
XLogP2.71
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.90
LogP ≤ 52.71
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-(dimethylamino)-2-phenylethyl]pyridine-3-sulfonamide
CID 110301918
6-chloro-N-(2-ethylbutyl)pyridine-3-sulfonamide
CID 115613422
N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22695251
N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]butane-1-sulfonamide
CID 112503856
6-chloro-N-[(4-ethoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 31391306
6-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide
CID 63964340
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 55949346
N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 43001637
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 45003216
N-[2-(dimethylamino)-3-phenylpropyl]-4-ethoxybenzenesulfonamide
CID 51169603
N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-fluorobenzenesulfonamide
CID 20962685
ethyl 4-[[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]sulfamoyl]benzoate
CID 51969738

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide (CID 110302702) is 6-chloro-N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide is CCOc1ccc(C(CNS(=O)(=O)c2ccc(Cl)nc2)N(C)C)cc1.
What is the InChIKey of 6-chloro-N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide?
The InChIKey is BAKDIAICANAARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O3S/c1-4-24-14-7-5-13(6-8-14)16(21(2)3)12-20-25(22,23)15-9-10-17(18)19-11-15/h5-11,16,20H,4,12H2,1-3H3.
What are the key properties of 6-chloro-N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide?
6-chloro-N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide has a molecular weight of 383.90 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 110302702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).