2-chloro-N-(2-ethoxypropyl)pyridine-3-sulfonamide

C10H15ClN2O3S — CID 115650670

IUPAC2-chloro-N-(2-ethoxypropyl)pyridine-3-sulfonamide
SMILESCCOC(C)CNS(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C10H15ClN2O3S/c1-3-16-8(2)7-13-17(14,15)9-5-4-6-12-10(9)11/h4-6,8,13H,3,7H2,1-2H3
InChIKeyXLRQALSDHKRSGD-UHFFFAOYSA-N
MW278.76 g/mol
LogP1.44
Rot. Bonds6

About 2-chloro-N-(2-ethoxypropyl)pyridine-3-sulfonamide

2-chloro-N-(2-ethoxypropyl)pyridine-3-sulfonamide (PubChem CID 115650670) has the molecular formula C10H15ClN2O3S and a molecular weight of 278.76 g/mol. Its IUPAC name is 2-chloro-N-(2-ethoxypropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-ethoxypropyl)pyridine-3-sulfonamide
PubChem CID115650670
Molecular FormulaC10H15ClN2O3S
Molecular Weight278.76 g/mol
Exact Mass278.05
IUPAC Name2-chloro-N-(2-ethoxypropyl)pyridine-3-sulfonamide
SMILESCCOC(C)CNS(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C10H15ClN2O3S/c1-3-16-8(2)7-13-17(14,15)9-5-4-6-12-10(9)11/h4-6,8,13H,3,7H2,1-2H3
InChIKeyXLRQALSDHKRSGD-UHFFFAOYSA-N
XLogP1.44
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 51.44
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-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-sulfonamide
CID 103883843
2-chloro-N-(2-methylsulfinylpropyl)pyridine-3-sulfonamide
CID 115763694
2-chloro-N-[2-(dimethylamino)-3-ethylpentyl]pyridine-3-sulfonamide
CID 61250168
2-chloro-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide
CID 102609400
2-chloro-N-(3-methylpentan-2-yl)pyridine-3-sulfonamide
CID 54950252
2-chloro-N-(4-methylpentyl)pyridine-3-sulfonamide
CID 61046913
ethyl 3-[(2-chloro-3-pyridinyl)sulfonylamino]propanoate
CID 55207055
2-chloro-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide
CID 43456724
2-chloro-N-(4-propan-2-ylphenyl)pyridine-3-sulfonamide
CID 43388271
2-chloro-N-(4-methoxy-2,2-dimethylbutyl)pyridine-3-sulfonamide
CID 104624494
2-chloro-N-(1-phenylpropyl)pyridine-3-sulfonamide
CID 62304203
methyl (2S)-2-[(2-chloro-3-pyridinyl)sulfonylamino]propanoate
CID 61150966

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethoxypropyl)pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-(2-ethoxypropyl)pyridine-3-sulfonamide (CID 115650670) is 2-chloro-N-(2-ethoxypropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2-ethoxypropyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-(2-ethoxypropyl)pyridine-3-sulfonamide is CCOC(C)CNS(=O)(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(2-ethoxypropyl)pyridine-3-sulfonamide?
The InChIKey is XLRQALSDHKRSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O3S/c1-3-16-8(2)7-13-17(14,15)9-5-4-6-12-10(9)11/h4-6,8,13H,3,7H2,1-2H3.
What are the key properties of 2-chloro-N-(2-ethoxypropyl)pyridine-3-sulfonamide?
2-chloro-N-(2-ethoxypropyl)pyridine-3-sulfonamide has a molecular weight of 278.76 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethoxypropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 115650670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).