6-chloro-4-methylpyridine-3-sulfonamide

C6H7ClN2O2S — CID 114953224

IUPAC6-chloro-4-methylpyridine-3-sulfonamide
SMILESCc1cc(Cl)ncc1S(N)(=O)=O
InChIInChI=1S/C6H7ClN2O2S/c1-4-2-6(7)9-3-5(4)12(8,10)11/h2-3H,1H3,(H2,8,10,11)
InChIKeyKPSVCRFMKLJSNT-UHFFFAOYSA-N
MW206.65 g/mol
LogP0.69
Rot. Bonds1

About 6-chloro-4-methylpyridine-3-sulfonamide

6-chloro-4-methylpyridine-3-sulfonamide (PubChem CID 114953224) has the molecular formula C6H7ClN2O2S and a molecular weight of 206.65 g/mol. Its IUPAC name is 6-chloro-4-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-4-methylpyridine-3-sulfonamide
PubChem CID114953224
Molecular FormulaC6H7ClN2O2S
Molecular Weight206.65 g/mol
Exact Mass205.99
IUPAC Name6-chloro-4-methylpyridine-3-sulfonamide
SMILESCc1cc(Cl)ncc1S(N)(=O)=O
InChIInChI=1S/C6H7ClN2O2S/c1-4-2-6(7)9-3-5(4)12(8,10)11/h2-3H,1H3,(H2,8,10,11)
InChIKeyKPSVCRFMKLJSNT-UHFFFAOYSA-N
XLogP0.69
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.65
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-methylpyridine-3-sulfonamide?
The IUPAC name of 6-chloro-4-methylpyridine-3-sulfonamide (CID 114953224) is 6-chloro-4-methylpyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-4-methylpyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-4-methylpyridine-3-sulfonamide is Cc1cc(Cl)ncc1S(N)(=O)=O.
What is the InChIKey of 6-chloro-4-methylpyridine-3-sulfonamide?
The InChIKey is KPSVCRFMKLJSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O2S/c1-4-2-6(7)9-3-5(4)12(8,10)11/h2-3H,1H3,(H2,8,10,11).
What are the key properties of 6-chloro-4-methylpyridine-3-sulfonamide?
6-chloro-4-methylpyridine-3-sulfonamide has a molecular weight of 206.65 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methylpyridine-3-sulfonamide is sourced from PubChem (CID 114953224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).