5,6-dichloro-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide

C10H14Cl2N2O4S — CID 64608793

IUPAC5,6-dichloro-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide
SMILESCOCC(O)CN(C)S(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C10H14Cl2N2O4S/c1-14(5-7(15)6-18-2)19(16,17)8-3-9(11)10(12)13-4-8/h3-4,7,15H,5-6H2,1-2H3
InChIKeyKNHUUEFZWBIPHW-UHFFFAOYSA-N
MW329.21 g/mol
LogP1.02
Rot. Bonds6

About 5,6-dichloro-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide

5,6-dichloro-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide (PubChem CID 64608793) has the molecular formula C10H14Cl2N2O4S and a molecular weight of 329.21 g/mol. Its IUPAC name is 5,6-dichloro-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide
PubChem CID64608793
Molecular FormulaC10H14Cl2N2O4S
Molecular Weight329.21 g/mol
Exact Mass328.01
IUPAC Name5,6-dichloro-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide
SMILESCOCC(O)CN(C)S(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C10H14Cl2N2O4S/c1-14(5-7(15)6-18-2)19(16,17)8-3-9(11)10(12)13-4-8/h3-4,7,15H,5-6H2,1-2H3
InChIKeyKNHUUEFZWBIPHW-UHFFFAOYSA-N
XLogP1.02
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 51.02
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

5,6-dichloro-N-(3-methoxypropyl)-N-methylpyridine-3-sulfonamide
CID 64608229
6-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide
CID 62153514
N-butyl-5,6-dichloro-N-methylpyridine-3-sulfonamide
CID 64625358
6-cyano-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide
CID 115875810
4-bromo-3-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide
CID 103880498
5,6-dichloro-N,N-bis(2-methylpropyl)pyridine-3-sulfonamide
CID 826892
N-(2-hydroxy-3-methoxypropyl)-3-methoxy-N-methylbenzenesulfonamide
CID 81258385
2-[(5,6-dichloro-3-pyridinyl)sulfonyl-methylamino]-N,N-diethylacetamide
CID 64608778
3-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide
CID 54941944
2-amino-5-bromo-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide
CID 62153874
5,6-dichloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 64608949
2,4-difluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide
CID 54999282

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide (CID 64608793) is 5,6-dichloro-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide is COCC(O)CN(C)S(=O)(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide?
The InChIKey is KNHUUEFZWBIPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O4S/c1-14(5-7(15)6-18-2)19(16,17)8-3-9(11)10(12)13-4-8/h3-4,7,15H,5-6H2,1-2H3.
What are the key properties of 5,6-dichloro-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide?
5,6-dichloro-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide has a molecular weight of 329.21 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 64608793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).