6-chloro-2-methyl-N-propan-2-ylpyridine-3-sulfonamide

C9H13ClN2O2S — CID 130552400

IUPAC6-chloro-2-methyl-N-propan-2-ylpyridine-3-sulfonamide
SMILESCc1nc(Cl)ccc1S(=O)(=O)NC(C)C
InChIInChI=1S/C9H13ClN2O2S/c1-6(2)12-15(13,14)8-4-5-9(10)11-7(8)3/h4-6,12H,1-3H3
InChIKeyATSQFFNLILMSSK-UHFFFAOYSA-N
MW248.73 g/mol
LogP1.73
Rot. Bonds3

About 6-chloro-2-methyl-N-propan-2-ylpyridine-3-sulfonamide

6-chloro-2-methyl-N-propan-2-ylpyridine-3-sulfonamide (PubChem CID 130552400) has the molecular formula C9H13ClN2O2S and a molecular weight of 248.73 g/mol. Its IUPAC name is 6-chloro-2-methyl-N-propan-2-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-2-methyl-N-propan-2-ylpyridine-3-sulfonamide
PubChem CID130552400
Molecular FormulaC9H13ClN2O2S
Molecular Weight248.73 g/mol
Exact Mass248.04
IUPAC Name6-chloro-2-methyl-N-propan-2-ylpyridine-3-sulfonamide
SMILESCc1nc(Cl)ccc1S(=O)(=O)NC(C)C
InChIInChI=1S/C9H13ClN2O2S/c1-6(2)12-15(13,14)8-4-5-9(10)11-7(8)3/h4-6,12H,1-3H3
InChIKeyATSQFFNLILMSSK-UHFFFAOYSA-N
XLogP1.73
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.73
LogP ≤ 51.73
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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Related Compounds

2-chloro-8-ethoxy-N-propan-2-ylquinoline-5-sulfonamide
CID 112553282
2,3,4-trichloro-N-propan-2-ylbenzenesulfonamide
CID 19782295
2-amino-5-chloro-N-propan-2-ylbenzenesulfonamide
CID 60985820
2,6-dimethoxy-N-propan-2-ylpyridine-3-sulfonamide
CID 165486634
4-chloro-3-methyl-N-propan-2-ylbenzenesulfonamide
CID 39845241
4-amino-2,5-dichloro-N-propan-2-ylbenzenesulfonamide
CID 57320385
2-(2-hydroxypropan-2-yl)-4-methyl-N-propan-2-ylbenzenesulfonamide
CID 118545495
5-amino-N-propan-2-yl-1H-pyrazole-4-sulfonamide
CID 60814185
5-bromo-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 8777711
6-chloro-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-2-methylpyridine-3-sulfonamide
CID 177036785
3-bromo-4-chloro-N-propan-2-ylbenzenesulfonamide
CID 106545028
2-amino-N-propan-2-ylpyrimidine-5-sulfonamide
CID 62150881

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-N-propan-2-ylpyridine-3-sulfonamide?
The IUPAC name of 6-chloro-2-methyl-N-propan-2-ylpyridine-3-sulfonamide (CID 130552400) is 6-chloro-2-methyl-N-propan-2-ylpyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-2-methyl-N-propan-2-ylpyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-2-methyl-N-propan-2-ylpyridine-3-sulfonamide is Cc1nc(Cl)ccc1S(=O)(=O)NC(C)C.
What is the InChIKey of 6-chloro-2-methyl-N-propan-2-ylpyridine-3-sulfonamide?
The InChIKey is ATSQFFNLILMSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2S/c1-6(2)12-15(13,14)8-4-5-9(10)11-7(8)3/h4-6,12H,1-3H3.
What are the key properties of 6-chloro-2-methyl-N-propan-2-ylpyridine-3-sulfonamide?
6-chloro-2-methyl-N-propan-2-ylpyridine-3-sulfonamide has a molecular weight of 248.73 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-N-propan-2-ylpyridine-3-sulfonamide is sourced from PubChem (CID 130552400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).