5,6-dichloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide

C10H14Cl2N2O2S2 — CID 64607088

IUPAC5,6-dichloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide
SMILESCSCC(C)CNS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C10H14Cl2N2O2S2/c1-7(6-17-2)4-14-18(15,16)8-3-9(11)10(12)13-5-8/h3,5,7,14H,4,6H2,1-2H3
InChIKeyZDHXBTOCKJVIKR-UHFFFAOYSA-N
MW329.27 g/mol
LogP2.67
Rot. Bonds6

About 5,6-dichloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide

5,6-dichloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide (PubChem CID 64607088) has the molecular formula C10H14Cl2N2O2S2 and a molecular weight of 329.27 g/mol. Its IUPAC name is 5,6-dichloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide
PubChem CID64607088
Molecular FormulaC10H14Cl2N2O2S2
Molecular Weight329.27 g/mol
Exact Mass327.99
IUPAC Name5,6-dichloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide
SMILESCSCC(C)CNS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C10H14Cl2N2O2S2/c1-7(6-17-2)4-14-18(15,16)8-3-9(11)10(12)13-5-8/h3,5,7,14H,4,6H2,1-2H3
InChIKeyZDHXBTOCKJVIKR-UHFFFAOYSA-N
XLogP2.67
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 52.67
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

5,6-dichloro-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 64624786
6-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide
CID 63964340
6-amino-5-chloro-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 64607743
6-amino-5-chloro-N-(2-methylbutyl)pyridine-3-sulfonamide
CID 64601703
2-chloro-4-[(2-methyl-3-methylsulfanylpropyl)sulfamoyl]benzoic acid
CID 107090099
3-chloro-4-cyano-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 112690747
5,6-dichloro-N-(2,2-dimethylpropyl)pyridine-3-sulfonamide
CID 64606874
3-(aminomethyl)-4-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 106064905
5,6-dichloro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-sulfonamide
CID 64608986
5,6-dichloro-N-[2-(3-methylbutoxy)ethyl]pyridine-3-sulfonamide
CID 64608604
5,6-dichloro-N-(2-methylsulfinylethyl)pyridine-3-sulfonamide
CID 115641390
methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]acetate
CID 64624792

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide (CID 64607088) is 5,6-dichloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide is CSCC(C)CNS(=O)(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide?
The InChIKey is ZDHXBTOCKJVIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O2S2/c1-7(6-17-2)4-14-18(15,16)8-3-9(11)10(12)13-5-8/h3,5,7,14H,4,6H2,1-2H3.
What are the key properties of 5,6-dichloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide?
5,6-dichloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide has a molecular weight of 329.27 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 64607088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).