2-chloro-N-[(2-methoxyphenyl)methyl]pyridine-3-sulfonamide

C13H13ClN2O3S — CID 43414928

IUPAC2-chloro-N-[(2-methoxyphenyl)methyl]pyridine-3-sulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C13H13ClN2O3S/c1-19-11-6-3-2-5-10(11)9-16-20(17,18)12-7-4-8-15-13(12)14/h2-8,16H,9H2,1H3
InChIKeyZYYZFHZTBVRQRL-UHFFFAOYSA-N
MW312.78 g/mol
LogP2.22
Rot. Bonds5

About 2-chloro-N-[(2-methoxyphenyl)methyl]pyridine-3-sulfonamide

2-chloro-N-[(2-methoxyphenyl)methyl]pyridine-3-sulfonamide (PubChem CID 43414928) has the molecular formula C13H13ClN2O3S and a molecular weight of 312.78 g/mol. Its IUPAC name is 2-chloro-N-[(2-methoxyphenyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(2-methoxyphenyl)methyl]pyridine-3-sulfonamide
PubChem CID43414928
Molecular FormulaC13H13ClN2O3S
Molecular Weight312.78 g/mol
Exact Mass312.03
IUPAC Name2-chloro-N-[(2-methoxyphenyl)methyl]pyridine-3-sulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C13H13ClN2O3S/c1-19-11-6-3-2-5-10(11)9-16-20(17,18)12-7-4-8-15-13(12)14/h2-8,16H,9H2,1H3
InChIKeyZYYZFHZTBVRQRL-UHFFFAOYSA-N
XLogP2.22
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 52.22
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-amino-N-[(2-methoxyphenyl)methyl]pyridine-3-sulfonamide
CID 62164569
2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 61052630
2-hydrazinyl-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 43454817
4-chloro-N-[(2-methoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 19680723
3,4-dichloro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 26948553
2-chloro-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 43455847
N-[(2-methoxyphenyl)methyl]isoquinoline-5-sulfonamide;hydrochloride
CID 16846036
2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 6468216
N-[(2-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 7244636
2-chloro-N-(4-methoxy-2,2-dimethylbutyl)pyridine-3-sulfonamide
CID 104624494
5-ethyl-2-methoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 110757861
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methoxybenzenesulfonamide
CID 55691601

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-methoxyphenyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-[(2-methoxyphenyl)methyl]pyridine-3-sulfonamide (CID 43414928) is 2-chloro-N-[(2-methoxyphenyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-[(2-methoxyphenyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-[(2-methoxyphenyl)methyl]pyridine-3-sulfonamide is COc1ccccc1CNS(=O)(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[(2-methoxyphenyl)methyl]pyridine-3-sulfonamide?
The InChIKey is ZYYZFHZTBVRQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3S/c1-19-11-6-3-2-5-10(11)9-16-20(17,18)12-7-4-8-15-13(12)14/h2-8,16H,9H2,1H3.
What are the key properties of 2-chloro-N-[(2-methoxyphenyl)methyl]pyridine-3-sulfonamide?
2-chloro-N-[(2-methoxyphenyl)methyl]pyridine-3-sulfonamide has a molecular weight of 312.78 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-methoxyphenyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 43414928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).