2-chloro-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide

C9H13ClN2O3S — CID 43456724

IUPAC2-chloro-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide
SMILESCOCC(C)NS(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C9H13ClN2O3S/c1-7(6-15-2)12-16(13,14)8-4-3-5-11-9(8)10/h3-5,7,12H,6H2,1-2H3
InChIKeyAMBPOCIQQAYGMD-UHFFFAOYSA-N
MW264.73 g/mol
LogP1.05
Rot. Bonds5

About 2-chloro-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide

2-chloro-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide (PubChem CID 43456724) has the molecular formula C9H13ClN2O3S and a molecular weight of 264.73 g/mol. Its IUPAC name is 2-chloro-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide
PubChem CID43456724
Molecular FormulaC9H13ClN2O3S
Molecular Weight264.73 g/mol
Exact Mass264.03
IUPAC Name2-chloro-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide
SMILESCOCC(C)NS(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C9H13ClN2O3S/c1-7(6-15-2)12-16(13,14)8-4-3-5-11-9(8)10/h3-5,7,12H,6H2,1-2H3
InChIKeyAMBPOCIQQAYGMD-UHFFFAOYSA-N
XLogP1.05
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 51.05
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

2-cyano-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide
CID 106545154
2-chloro-N-(3-methylpentan-2-yl)pyridine-3-sulfonamide
CID 54950252
2-chloro-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide
CID 115641407
methyl (2S)-2-[(2-chloro-3-pyridinyl)sulfonylamino]propanoate
CID 61150966
2-chloro-N-[(1R)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]pyridine-3-sulfonamide
CID 99846943
2-chloro-N-(4-methoxy-2,2-dimethylbutyl)pyridine-3-sulfonamide
CID 104624494
2-chloro-N-(1-methoxypropan-2-yl)pyridine-4-sulfonamide
CID 61004005
2-chloro-N-(1-phenylpropyl)pyridine-3-sulfonamide
CID 62304203
2-chloro-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide
CID 61052282
2,5-dichloro-N-[(2S)-1-methoxypropan-2-yl]benzenesulfonamide
CID 670298
2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-sulfonamide
CID 103883843
2-chloro-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide
CID 102609400

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide (CID 43456724) is 2-chloro-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide is COCC(C)NS(=O)(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide?
The InChIKey is AMBPOCIQQAYGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O3S/c1-7(6-15-2)12-16(13,14)8-4-3-5-11-9(8)10/h3-5,7,12H,6H2,1-2H3.
What are the key properties of 2-chloro-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide?
2-chloro-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide has a molecular weight of 264.73 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 43456724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).