6-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-3-sulfonamide

C10H13ClN2O2S2 — CID 107271026

IUPAC6-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-3-sulfonamide
SMILESCSC1(CNS(=O)(=O)c2ccc(Cl)nc2)CC1
InChIInChI=1S/C10H13ClN2O2S2/c1-16-10(4-5-10)7-13-17(14,15)8-2-3-9(11)12-6-8/h2-3,6,13H,4-5,7H2,1H3
InChIKeyDDUQOBLUQWBAHU-UHFFFAOYSA-N
MW292.81 g/mol
LogP1.91
Rot. Bonds5

About 6-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-3-sulfonamide

6-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-3-sulfonamide (PubChem CID 107271026) has the molecular formula C10H13ClN2O2S2 and a molecular weight of 292.81 g/mol. Its IUPAC name is 6-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-3-sulfonamide
PubChem CID107271026
Molecular FormulaC10H13ClN2O2S2
Molecular Weight292.81 g/mol
Exact Mass292.01
IUPAC Name6-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-3-sulfonamide
SMILESCSC1(CNS(=O)(=O)c2ccc(Cl)nc2)CC1
InChIInChI=1S/C10H13ClN2O2S2/c1-16-10(4-5-10)7-13-17(14,15)8-2-3-9(11)12-6-8/h2-3,6,13H,4-5,7H2,1H3
InChIKeyDDUQOBLUQWBAHU-UHFFFAOYSA-N
XLogP1.91
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 51.91
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

6-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridin-3-amine
CID 130506214
6-hydrazinyl-N-[(1-methylsulfanylcyclobutyl)methyl]pyridine-3-sulfonamide
CID 114116657
6-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-3-sulfonamide
CID 107163440
6-chloro-N-(1-methylcyclopropyl)pyridine-3-sulfonamide
CID 115634619
4-hydroxy-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide
CID 114116819
6-chloro-N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]propyl]pyridine-3-sulfonamide
CID 4729949
6-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide
CID 63964340
3-chloro-4-(hydroxymethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]benzenesulfonamide
CID 106000766
3-bromo-4-methoxy-N-[(1-methylsulfanylcyclopropyl)methyl]benzenesulfonamide
CID 107270998
6-chloro-N-(2-ethylbutyl)pyridine-3-sulfonamide
CID 115613422
3-chloro-4-cyano-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide
CID 107270940
4-[(1-methylsulfanylcyclobutyl)methylsulfamoyl]benzoic acid
CID 107266400

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-3-sulfonamide (CID 107271026) is 6-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-3-sulfonamide is CSC1(CNS(=O)(=O)c2ccc(Cl)nc2)CC1.
What is the InChIKey of 6-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-3-sulfonamide?
The InChIKey is DDUQOBLUQWBAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2S2/c1-16-10(4-5-10)7-13-17(14,15)8-2-3-9(11)12-6-8/h2-3,6,13H,4-5,7H2,1H3.
What are the key properties of 6-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-3-sulfonamide?
6-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-3-sulfonamide has a molecular weight of 292.81 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 107271026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).