N-(6-chloro-3-pyridinyl)-2-sulfanylpropane-2-sulfonamide

C8H11ClN2O2S2 — CID 166948538

IUPACN-(6-chloro-3-pyridinyl)-2-sulfanylpropane-2-sulfonamide
SMILESCC(C)(S)S(=O)(=O)Nc1ccc(Cl)nc1
InChIInChI=1S/C8H11ClN2O2S2/c1-8(2,14)15(12,13)11-6-3-4-7(9)10-5-6/h3-5,11,14H,1-2H3
InChIKeyWZQURNVQCBLYLT-UHFFFAOYSA-N
MW266.78 g/mol
LogP2.14
Rot. Bonds3

About N-(6-chloro-3-pyridinyl)-2-sulfanylpropane-2-sulfonamide

N-(6-chloro-3-pyridinyl)-2-sulfanylpropane-2-sulfonamide (PubChem CID 166948538) has the molecular formula C8H11ClN2O2S2 and a molecular weight of 266.78 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-2-sulfanylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-2-sulfanylpropane-2-sulfonamide
PubChem CID166948538
Molecular FormulaC8H11ClN2O2S2
Molecular Weight266.78 g/mol
Exact Mass266.00
IUPAC NameN-(6-chloro-3-pyridinyl)-2-sulfanylpropane-2-sulfonamide
SMILESCC(C)(S)S(=O)(=O)Nc1ccc(Cl)nc1
InChIInChI=1S/C8H11ClN2O2S2/c1-8(2,14)15(12,13)11-6-3-4-7(9)10-5-6/h3-5,11,14H,1-2H3
InChIKeyWZQURNVQCBLYLT-UHFFFAOYSA-N
XLogP2.14
TPSA59.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.78
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(6-chloro-3-pyridinyl)propane-2-sulfonamide
CID 57157565
N-(6-chloro-3-pyridinyl)-2-methylbenzenesulfonamide
CID 66545246
N-(6-chloro-3-pyridinyl)cyclopropanesulfonamide
CID 103649273
N-(6-chloro-3-pyridinyl)butane-1-sulfonamide
CID 107095360
3,5-dichloro-N-(6-chloro-3-pyridinyl)-2-hydroxybenzenesulfonamide
CID 74227839
N-(6-chloro-3-pyridinyl)-1H-pyrazole-4-sulfonamide
CID 78945043
[(6-chloro-3-pyridinyl)amino]methanethiol
CID 88611899
2-methyl-N-[6-(methylamino)-3-pyridinyl]propane-2-sulfonamide
CID 115274638
N-(6-chloro-3-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 25047869
N-(6-chloro-3-pyridinyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 11792960
5-bromo-N-(6-chloro-3-pyridinyl)-2-methoxybenzenesulfonamide
CID 78931983
N-(6-chloro-3-pyridinyl)-5-ethylthiophene-2-sulfonamide
CID 113231899

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-2-sulfanylpropane-2-sulfonamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)-2-sulfanylpropane-2-sulfonamide (CID 166948538) is N-(6-chloro-3-pyridinyl)-2-sulfanylpropane-2-sulfonamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-2-sulfanylpropane-2-sulfonamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-2-sulfanylpropane-2-sulfonamide is CC(C)(S)S(=O)(=O)Nc1ccc(Cl)nc1.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-2-sulfanylpropane-2-sulfonamide?
The InChIKey is WZQURNVQCBLYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2S2/c1-8(2,14)15(12,13)11-6-3-4-7(9)10-5-6/h3-5,11,14H,1-2H3.
What are the key properties of N-(6-chloro-3-pyridinyl)-2-sulfanylpropane-2-sulfonamide?
N-(6-chloro-3-pyridinyl)-2-sulfanylpropane-2-sulfonamide has a molecular weight of 266.78 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-2-sulfanylpropane-2-sulfonamide is sourced from PubChem (CID 166948538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).