6-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide

C10H15ClN2O2S2 — CID 63964340

IUPAC6-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide
SMILESCSCC(C)CNS(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C10H15ClN2O2S2/c1-8(7-16-2)5-13-17(14,15)9-3-4-10(11)12-6-9/h3-4,6,8,13H,5,7H2,1-2H3
InChIKeyCHXZSHCSBQYQSD-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.01
Rot. Bonds6

About 6-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide

6-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide (PubChem CID 63964340) has the molecular formula C10H15ClN2O2S2 and a molecular weight of 294.83 g/mol. Its IUPAC name is 6-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide
PubChem CID63964340
Molecular FormulaC10H15ClN2O2S2
Molecular Weight294.83 g/mol
Exact Mass294.03
IUPAC Name6-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide
SMILESCSCC(C)CNS(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C10H15ClN2O2S2/c1-8(7-16-2)5-13-17(14,15)9-3-4-10(11)12-6-9/h3-4,6,8,13H,5,7H2,1-2H3
InChIKeyCHXZSHCSBQYQSD-UHFFFAOYSA-N
XLogP2.01
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.01
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-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide
CID 64607088
6-chloro-N-(2-ethylbutyl)pyridine-3-sulfonamide
CID 115613422
6-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-3-sulfonamide
CID 61045800
4-(2-aminoethoxy)-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 106064727
6-chloro-N-(2-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide
CID 110301549
3-(aminomethyl)-4-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 106064905
4-acetyl-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 63959176
3-chloro-4-cyano-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 112690747
2-chloro-4-[(2-methyl-3-methylsulfanylpropyl)sulfamoyl]benzoic acid
CID 107090099
6-chloro-N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]propyl]pyridine-3-sulfonamide
CID 4729949
2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-propan-2-ylacetamide
CID 27664723
6-chloro-N-[2-(dimethylamino)-2-phenylethyl]pyridine-3-sulfonamide
CID 110301918

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide (CID 63964340) is 6-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide is CSCC(C)CNS(=O)(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide?
The InChIKey is CHXZSHCSBQYQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2S2/c1-8(7-16-2)5-13-17(14,15)9-3-4-10(11)12-6-9/h3-4,6,8,13H,5,7H2,1-2H3.
What are the key properties of 6-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide?
6-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide has a molecular weight of 294.83 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 63964340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).