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

C10H14Cl2N2O3S — CID 64608229

IUPAC5,6-dichloro-N-(3-methoxypropyl)-N-methylpyridine-3-sulfonamide
SMILESCOCCCN(C)S(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C10H14Cl2N2O3S/c1-14(4-3-5-17-2)18(15,16)8-6-9(11)10(12)13-7-8/h6-7H,3-5H2,1-2H3
InChIKeyKLTILYXXAIBKIO-UHFFFAOYSA-N
MW313.21 g/mol
LogP2.05
Rot. Bonds6

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

5,6-dichloro-N-(3-methoxypropyl)-N-methylpyridine-3-sulfonamide (PubChem CID 64608229) has the molecular formula C10H14Cl2N2O3S and a molecular weight of 313.21 g/mol. Its IUPAC name is 5,6-dichloro-N-(3-methoxypropyl)-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N-(3-methoxypropyl)-N-methylpyridine-3-sulfonamide
PubChem CID64608229
Molecular FormulaC10H14Cl2N2O3S
Molecular Weight313.21 g/mol
Exact Mass312.01
IUPAC Name5,6-dichloro-N-(3-methoxypropyl)-N-methylpyridine-3-sulfonamide
SMILESCOCCCN(C)S(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C10H14Cl2N2O3S/c1-14(4-3-5-17-2)18(15,16)8-6-9(11)10(12)13-7-8/h6-7H,3-5H2,1-2H3
InChIKeyKLTILYXXAIBKIO-UHFFFAOYSA-N
XLogP2.05
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.21
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5,6-dichloro-N-(3-methoxypropyl)-N-methylpyridine-3-sulfonamide 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-butyl-5,6-dichloro-N-methylpyridine-3-sulfonamide
CID 64625358
5,6-dichloro-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide
CID 64608793
5,6-dichloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 64607272
5,6-dichloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 64608949
2-[(5,6-dichloro-3-pyridinyl)sulfonyl-methylamino]-N,N-diethylacetamide
CID 64608778
4-amino-2-chloro-N-(3-methoxypropyl)-N-methylbenzenesulfonamide
CID 62985193
N-(3-aminopropyl)-3,4-dichloro-N-methylbenzenesulfonamide
CID 98781428
5,6-dichloro-N,N-bis(2-methylpropyl)pyridine-3-sulfonamide
CID 826892
N-[4-[butyl(methyl)sulfamoyl]phenyl]-5,6-dichloropyridine-3-carboxamide
CID 7733390
4-(chloromethyl)-2-fluoro-N-(3-methoxypropyl)-N-methylbenzenesulfonamide
CID 79187004
ethyl 2-[(5-chloro-6-hydrazinyl-3-pyridinyl)sulfonyl-methylamino]acetate;ethyl 2-[(5,6-dichloro-3-pyridinyl)sulfonyl-methylamino]acetate
CID 160881864
5,6-dichloro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-sulfonamide
CID 64608986

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(3-methoxypropyl)-N-methylpyridine-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N-(3-methoxypropyl)-N-methylpyridine-3-sulfonamide (CID 64608229) is 5,6-dichloro-N-(3-methoxypropyl)-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N-(3-methoxypropyl)-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N-(3-methoxypropyl)-N-methylpyridine-3-sulfonamide is COCCCN(C)S(=O)(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-(3-methoxypropyl)-N-methylpyridine-3-sulfonamide?
The InChIKey is KLTILYXXAIBKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O3S/c1-14(4-3-5-17-2)18(15,16)8-6-9(11)10(12)13-7-8/h6-7H,3-5H2,1-2H3.
What are the key properties of 5,6-dichloro-N-(3-methoxypropyl)-N-methylpyridine-3-sulfonamide?
5,6-dichloro-N-(3-methoxypropyl)-N-methylpyridine-3-sulfonamide has a molecular weight of 313.21 g/mol, XLogP of 2.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(3-methoxypropyl)-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 64608229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).