6-chloro-N-[2-(dimethylamino)-2-phenylethyl]pyridine-3-sulfonamide

C15H18ClN3O2S — CID 110301918

IUPAC6-chloro-N-[2-(dimethylamino)-2-phenylethyl]pyridine-3-sulfonamide
SMILESCN(C)C(CNS(=O)(=O)c1ccc(Cl)nc1)c1ccccc1
InChIInChI=1S/C15H18ClN3O2S/c1-19(2)14(12-6-4-3-5-7-12)11-18-22(20,21)13-8-9-15(16)17-10-13/h3-10,14,18H,11H2,1-2H3
InChIKeyVIPCRDOYWRJIRJ-UHFFFAOYSA-N
MW339.85 g/mol
LogP2.32
Rot. Bonds6

About 6-chloro-N-[2-(dimethylamino)-2-phenylethyl]pyridine-3-sulfonamide

6-chloro-N-[2-(dimethylamino)-2-phenylethyl]pyridine-3-sulfonamide (PubChem CID 110301918) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is 6-chloro-N-[2-(dimethylamino)-2-phenylethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[2-(dimethylamino)-2-phenylethyl]pyridine-3-sulfonamide
PubChem CID110301918
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC Name6-chloro-N-[2-(dimethylamino)-2-phenylethyl]pyridine-3-sulfonamide
SMILESCN(C)C(CNS(=O)(=O)c1ccc(Cl)nc1)c1ccccc1
InChIInChI=1S/C15H18ClN3O2S/c1-19(2)14(12-6-4-3-5-7-12)11-18-22(20,21)13-8-9-15(16)17-10-13/h3-10,14,18H,11H2,1-2H3
InChIKeyVIPCRDOYWRJIRJ-UHFFFAOYSA-N
XLogP2.32
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 52.32
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

6-chloro-N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 110302702
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-methylbenzenesulfonamide
CID 975376
3-chloro-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide
CID 44903192
4-chloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 2468122
6-chloro-N-(2-ethylbutyl)pyridine-3-sulfonamide
CID 115613422
4-acetyl-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide
CID 4883799
4-chloro-N-[(2R)-2-(diethylamino)-2-phenylethyl]benzenesulfonamide
CID 2198403
4-chloro-N-[(2S)-2-(diethylamino)-2-phenylethyl]benzenesulfonamide
CID 2198405
methyl 2-chloro-4-[[(2S)-2-(dimethylamino)-2-phenylethyl]sulfamoyl]benzoate
CID 124573264
6-chloro-N-phenylpyridine-3-sulfonamide
CID 4729892
6-chloro-N-[3-(N-methylanilino)propyl]pyridine-3-sulfonamide
CID 26945524
6-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide
CID 63964340

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(dimethylamino)-2-phenylethyl]pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-[2-(dimethylamino)-2-phenylethyl]pyridine-3-sulfonamide (CID 110301918) is 6-chloro-N-[2-(dimethylamino)-2-phenylethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[2-(dimethylamino)-2-phenylethyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[2-(dimethylamino)-2-phenylethyl]pyridine-3-sulfonamide is CN(C)C(CNS(=O)(=O)c1ccc(Cl)nc1)c1ccccc1.
What is the InChIKey of 6-chloro-N-[2-(dimethylamino)-2-phenylethyl]pyridine-3-sulfonamide?
The InChIKey is VIPCRDOYWRJIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c1-19(2)14(12-6-4-3-5-7-12)11-18-22(20,21)13-8-9-15(16)17-10-13/h3-10,14,18H,11H2,1-2H3.
What are the key properties of 6-chloro-N-[2-(dimethylamino)-2-phenylethyl]pyridine-3-sulfonamide?
6-chloro-N-[2-(dimethylamino)-2-phenylethyl]pyridine-3-sulfonamide has a molecular weight of 339.85 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(dimethylamino)-2-phenylethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 110301918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).