2-chloro-N-methyl-N-(3-phenylpropyl)pyridine-4-sulfonamide

C15H17ClN2O2S — CID 61053398

IUPAC2-chloro-N-methyl-N-(3-phenylpropyl)pyridine-4-sulfonamide
SMILESCN(CCCc1ccccc1)S(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C15H17ClN2O2S/c1-18(11-5-8-13-6-3-2-4-7-13)21(19,20)14-9-10-17-15(16)12-14/h2-4,6-7,9-10,12H,5,8,11H2,1H3
InChIKeyLVKCYZNNWKNZGT-UHFFFAOYSA-N
MW324.83 g/mol
LogP2.99
Rot. Bonds6

About 2-chloro-N-methyl-N-(3-phenylpropyl)pyridine-4-sulfonamide

2-chloro-N-methyl-N-(3-phenylpropyl)pyridine-4-sulfonamide (PubChem CID 61053398) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(3-phenylpropyl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(3-phenylpropyl)pyridine-4-sulfonamide
PubChem CID61053398
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name2-chloro-N-methyl-N-(3-phenylpropyl)pyridine-4-sulfonamide
SMILESCN(CCCc1ccccc1)S(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C15H17ClN2O2S/c1-18(11-5-8-13-6-3-2-4-7-13)21(19,20)14-9-10-17-15(16)12-14/h2-4,6-7,9-10,12H,5,8,11H2,1H3
InChIKeyLVKCYZNNWKNZGT-UHFFFAOYSA-N
XLogP2.99
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-methyl-N-(3-phenylpropyl)benzenesulfonamide
CID 43587419
2-chloro-N-(2-cyanoethyl)-N-methylpyridine-4-sulfonamide
CID 61003109
N-methyl-N-(5-phenylpentyl)benzenesulfonamide
CID 22024838
2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpyridine-4-sulfonamide
CID 61051895
2-chloro-4-(3-phenylpropyl)pyridine
CID 132575945
2-chloro-N-(2-cyanopropyl)-N-methylpyridine-4-sulfonamide
CID 61046101
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyridine-4-sulfonamide
CID 61050922
3-(aminomethyl)-N-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 65486467
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide
CID 61435899
2-amino-N-[(3-chlorophenyl)methyl]-N-methylpyridine-4-sulfonamide
CID 62158182
3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 2814680
2-chloro-N-ethyl-N-(2-phenylethyl)pyridine-4-carboxamide
CID 60738878

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(3-phenylpropyl)pyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-methyl-N-(3-phenylpropyl)pyridine-4-sulfonamide (CID 61053398) is 2-chloro-N-methyl-N-(3-phenylpropyl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-methyl-N-(3-phenylpropyl)pyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-methyl-N-(3-phenylpropyl)pyridine-4-sulfonamide is CN(CCCc1ccccc1)S(=O)(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-methyl-N-(3-phenylpropyl)pyridine-4-sulfonamide?
The InChIKey is LVKCYZNNWKNZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-18(11-5-8-13-6-3-2-4-7-13)21(19,20)14-9-10-17-15(16)12-14/h2-4,6-7,9-10,12H,5,8,11H2,1H3.
What are the key properties of 2-chloro-N-methyl-N-(3-phenylpropyl)pyridine-4-sulfonamide?
2-chloro-N-methyl-N-(3-phenylpropyl)pyridine-4-sulfonamide has a molecular weight of 324.83 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(3-phenylpropyl)pyridine-4-sulfonamide is sourced from PubChem (CID 61053398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).