2-chloro-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)pyridine-3-sulfonamide

C13H22ClN3O3S — CID 61046666

IUPAC2-chloro-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)pyridine-3-sulfonamide
SMILESCOCCN(CCCN(C)C)S(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C13H22ClN3O3S/c1-16(2)8-5-9-17(10-11-20-3)21(18,19)12-6-4-7-15-13(12)14/h4,6-7H,5,8-11H2,1-3H3
InChIKeyQAHUZISIJSLDDX-UHFFFAOYSA-N
MW335.86 g/mol
LogP1.32
Rot. Bonds9

About 2-chloro-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)pyridine-3-sulfonamide

2-chloro-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)pyridine-3-sulfonamide (PubChem CID 61046666) has the molecular formula C13H22ClN3O3S and a molecular weight of 335.86 g/mol. Its IUPAC name is 2-chloro-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)pyridine-3-sulfonamide
PubChem CID61046666
Molecular FormulaC13H22ClN3O3S
Molecular Weight335.86 g/mol
Exact Mass335.11
IUPAC Name2-chloro-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)pyridine-3-sulfonamide
SMILESCOCCN(CCCN(C)C)S(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C13H22ClN3O3S/c1-16(2)8-5-9-17(10-11-20-3)21(18,19)12-6-4-7-15-13(12)14/h4,6-7H,5,8-11H2,1-3H3
InChIKeyQAHUZISIJSLDDX-UHFFFAOYSA-N
XLogP1.32
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-ethyl-N-(2-methoxyethyl)pyridine-3-sulfonamide
CID 54948785
2-chloro-N-(2-ethoxyethyl)-N-ethylpyridine-3-sulfonamide
CID 55226922
2-chloro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 61045189
2-hydrazinyl-N,N-bis(2-methoxyethyl)pyridine-3-sulfonamide
CID 61418313
methyl 4-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]butanoate
CID 61047612
2-chloro-N-methyl-N-pentylpyridine-3-sulfonamide
CID 43456976
4-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]butanoic acid
CID 43422935
2-chloro-N,N-bis[(4-methoxyphenyl)methyl]pyridine-3-sulfonamide;2-chloropyridine-3-sulfonyl chloride
CID 158526990
2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 61052630
2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 61125699
N,N-bis(2-methoxyethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 55512150
2-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide
CID 112698550

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)pyridine-3-sulfonamide (CID 61046666) is 2-chloro-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)pyridine-3-sulfonamide is COCCN(CCCN(C)C)S(=O)(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)pyridine-3-sulfonamide?
The InChIKey is QAHUZISIJSLDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O3S/c1-16(2)8-5-9-17(10-11-20-3)21(18,19)12-6-4-7-15-13(12)14/h4,6-7H,5,8-11H2,1-3H3.
What are the key properties of 2-chloro-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)pyridine-3-sulfonamide?
2-chloro-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)pyridine-3-sulfonamide has a molecular weight of 335.86 g/mol, XLogP of 1.32, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 61046666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).