5,6-dichloro-N-(3-methylsulfinylpropyl)pyridine-3-sulfonamide

C9H12Cl2N2O3S2 — CID 115641392

IUPAC5,6-dichloro-N-(3-methylsulfinylpropyl)pyridine-3-sulfonamide
SMILESCS(=O)CCCNS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C9H12Cl2N2O3S2/c1-17(14)4-2-3-13-18(15,16)7-5-8(10)9(11)12-6-7/h5-6,13H,2-4H2,1H3
InChIKeyRMXRCKSTYVUQKJ-UHFFFAOYSA-N
MW331.25 g/mol
LogP1.44
Rot. Bonds6

About 5,6-dichloro-N-(3-methylsulfinylpropyl)pyridine-3-sulfonamide

5,6-dichloro-N-(3-methylsulfinylpropyl)pyridine-3-sulfonamide (PubChem CID 115641392) has the molecular formula C9H12Cl2N2O3S2 and a molecular weight of 331.25 g/mol. Its IUPAC name is 5,6-dichloro-N-(3-methylsulfinylpropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N-(3-methylsulfinylpropyl)pyridine-3-sulfonamide
PubChem CID115641392
Molecular FormulaC9H12Cl2N2O3S2
Molecular Weight331.25 g/mol
Exact Mass329.97
IUPAC Name5,6-dichloro-N-(3-methylsulfinylpropyl)pyridine-3-sulfonamide
SMILESCS(=O)CCCNS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C9H12Cl2N2O3S2/c1-17(14)4-2-3-13-18(15,16)7-5-8(10)9(11)12-6-7/h5-6,13H,2-4H2,1H3
InChIKeyRMXRCKSTYVUQKJ-UHFFFAOYSA-N
XLogP1.44
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 51.44
H-Bond Donors ≤ 51
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'}

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Related Compounds

5,6-dichloro-N-(2-methylsulfinylethyl)pyridine-3-sulfonamide
CID 115641390
N-[3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propyl]acetamide
CID 110309462
4-[(5,6-dichloro-3-pyridinyl)sulfonylamino]butanamide
CID 64608732
4-[(5,6-dichloro-3-pyridinyl)sulfonylamino]butanoic acid
CID 64608025
5,6-dichloro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-sulfonamide
CID 64608986
5,6-dichloro-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 64624786
5,6-dichloro-N-(2,2-dimethylpropyl)pyridine-3-sulfonamide
CID 64606874
2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]ethylurea
CID 83110624
5,6-dichloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 79362839
5,6-dichloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-3-sulfonamide
CID 103721200
5,6-dichloro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide
CID 113239619
5,6-dichloro-N-[2-(3-methylbutoxy)ethyl]pyridine-3-sulfonamide
CID 64608604

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(3-methylsulfinylpropyl)pyridine-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N-(3-methylsulfinylpropyl)pyridine-3-sulfonamide (CID 115641392) is 5,6-dichloro-N-(3-methylsulfinylpropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N-(3-methylsulfinylpropyl)pyridine-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N-(3-methylsulfinylpropyl)pyridine-3-sulfonamide is CS(=O)CCCNS(=O)(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-(3-methylsulfinylpropyl)pyridine-3-sulfonamide?
The InChIKey is RMXRCKSTYVUQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2O3S2/c1-17(14)4-2-3-13-18(15,16)7-5-8(10)9(11)12-6-7/h5-6,13H,2-4H2,1H3.
What are the key properties of 5,6-dichloro-N-(3-methylsulfinylpropyl)pyridine-3-sulfonamide?
5,6-dichloro-N-(3-methylsulfinylpropyl)pyridine-3-sulfonamide has a molecular weight of 331.25 g/mol, XLogP of 1.44, 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-(3-methylsulfinylpropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 115641392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).