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

C14H15ClN2O2S — CID 60749011

IUPAC2-chloro-N-(2-propylphenyl)pyridine-3-sulfonamide
SMILESCCCc1ccccc1NS(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C14H15ClN2O2S/c1-2-6-11-7-3-4-8-12(11)17-20(18,19)13-9-5-10-16-14(13)15/h3-5,7-10,17H,2,6H2,1H3
InChIKeyWXUCLFSOFIHGLT-UHFFFAOYSA-N
MW310.81 g/mol
LogP3.49
Rot. Bonds5

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

2-chloro-N-(2-propylphenyl)pyridine-3-sulfonamide (PubChem CID 60749011) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 2-chloro-N-(2-propylphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-propylphenyl)pyridine-3-sulfonamide
PubChem CID60749011
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name2-chloro-N-(2-propylphenyl)pyridine-3-sulfonamide
SMILESCCCc1ccccc1NS(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C14H15ClN2O2S/c1-2-6-11-7-3-4-8-12(11)17-20(18,19)13-9-5-10-16-14(13)15/h3-5,7-10,17H,2,6H2,1H3
InChIKeyWXUCLFSOFIHGLT-UHFFFAOYSA-N
XLogP3.49
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 53.49
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-N-(2-hydroxyphenyl)pyridine-3-sulfonamide
CID 113220656
2-methyl-N-(2-propylphenyl)benzenesulfonamide
CID 63000036
N-(2-acetylphenyl)-2-chloropyridine-3-sulfonamide
CID 24621346
N-(2-ethylphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62144368
methyl 2-[(2-chloro-3-pyridinyl)sulfonylamino]benzoate
CID 43422913
2-[(2-chloro-3-pyridinyl)sulfonylamino]-N-methylbenzamide
CID 60721981
2-chloro-N-quinolin-8-ylpyridine-3-sulfonamide
CID 24621400
N-(2-ethylphenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 43456850
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-disulfonamide
CID 25048038
2-chloro-N-pyridin-2-ylpyridine-3-sulfonamide
CID 43415000
2-chloro-N-(2,6-dichlorophenyl)pyridine-3-sulfonamide
CID 60721815
methyl 2-[(2-butylphenyl)sulfamoyl]benzoate
CID 54336773

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-propylphenyl)pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-(2-propylphenyl)pyridine-3-sulfonamide (CID 60749011) is 2-chloro-N-(2-propylphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2-propylphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-(2-propylphenyl)pyridine-3-sulfonamide is CCCc1ccccc1NS(=O)(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(2-propylphenyl)pyridine-3-sulfonamide?
The InChIKey is WXUCLFSOFIHGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-2-6-11-7-3-4-8-12(11)17-20(18,19)13-9-5-10-16-14(13)15/h3-5,7-10,17H,2,6H2,1H3.
What are the key properties of 2-chloro-N-(2-propylphenyl)pyridine-3-sulfonamide?
2-chloro-N-(2-propylphenyl)pyridine-3-sulfonamide has a molecular weight of 310.81 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-propylphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 60749011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).