N-butyl-5,6-dichloro-N-methylpyridine-3-sulfonamide

C10H14Cl2N2O2S — CID 64625358

IUPACN-butyl-5,6-dichloro-N-methylpyridine-3-sulfonamide
SMILESCCCCN(C)S(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C10H14Cl2N2O2S/c1-3-4-5-14(2)17(15,16)8-6-9(11)10(12)13-7-8/h6-7H,3-5H2,1-2H3
InChIKeyHZPFSMLWJSSRAX-UHFFFAOYSA-N
MW297.21 g/mol
LogP2.81
Rot. Bonds5

About N-butyl-5,6-dichloro-N-methylpyridine-3-sulfonamide

N-butyl-5,6-dichloro-N-methylpyridine-3-sulfonamide (PubChem CID 64625358) has the molecular formula C10H14Cl2N2O2S and a molecular weight of 297.21 g/mol. Its IUPAC name is N-butyl-5,6-dichloro-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-butyl-5,6-dichloro-N-methylpyridine-3-sulfonamide
PubChem CID64625358
Molecular FormulaC10H14Cl2N2O2S
Molecular Weight297.21 g/mol
Exact Mass296.02
IUPAC NameN-butyl-5,6-dichloro-N-methylpyridine-3-sulfonamide
SMILESCCCCN(C)S(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C10H14Cl2N2O2S/c1-3-4-5-14(2)17(15,16)8-6-9(11)10(12)13-7-8/h6-7H,3-5H2,1-2H3
InChIKeyHZPFSMLWJSSRAX-UHFFFAOYSA-N
XLogP2.81
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.21
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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
N-[4-[butyl(methyl)sulfamoyl]phenyl]-5,6-dichloropyridine-3-carboxamide
CID 7733390
2-[(5,6-dichloro-3-pyridinyl)sulfonyl-methylamino]-N,N-diethylacetamide
CID 64608778
5-bromo-N-butyl-2-chloro-N-methylpyridine-3-sulfonamide
CID 61060720
N-butyl-3-chloro-4-ethoxy-N-methylbenzenesulfonamide
CID 110758150
5,6-dichloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 64608949
5,6-dichloro-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide
CID 64608793
5-amino-N-butyl-N-methylpyridine-3-sulfonamide
CID 82222996
5,6-dichloro-N,N-bis(2-methylpropyl)pyridine-3-sulfonamide
CID 826892
N-(3-aminopropyl)-3,4-dichloro-N-methylbenzenesulfonamide
CID 98781428
3-bromo-N-butyl-5-chloro-N-methylpyridine-4-sulfonamide
CID 167809520
ethyl 2-[(5-chloro-6-hydrazinyl-3-pyridinyl)sulfonyl-methylamino]acetate;ethyl 2-[(5,6-dichloro-3-pyridinyl)sulfonyl-methylamino]acetate
CID 160881864

Frequently Asked Questions

What is the IUPAC name of N-butyl-5,6-dichloro-N-methylpyridine-3-sulfonamide?
The IUPAC name of N-butyl-5,6-dichloro-N-methylpyridine-3-sulfonamide (CID 64625358) is N-butyl-5,6-dichloro-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for N-butyl-5,6-dichloro-N-methylpyridine-3-sulfonamide?
The canonical SMILES for N-butyl-5,6-dichloro-N-methylpyridine-3-sulfonamide is CCCCN(C)S(=O)(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of N-butyl-5,6-dichloro-N-methylpyridine-3-sulfonamide?
The InChIKey is HZPFSMLWJSSRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O2S/c1-3-4-5-14(2)17(15,16)8-6-9(11)10(12)13-7-8/h6-7H,3-5H2,1-2H3.
What are the key properties of N-butyl-5,6-dichloro-N-methylpyridine-3-sulfonamide?
N-butyl-5,6-dichloro-N-methylpyridine-3-sulfonamide has a molecular weight of 297.21 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5,6-dichloro-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 64625358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).