6-chloro-N-[(3-chlorophenyl)methyl]-N-ethylpyridine-3-sulfonamide

C14H14Cl2N2O2S — CID 61045031

IUPAC6-chloro-N-[(3-chlorophenyl)methyl]-N-ethylpyridine-3-sulfonamide
SMILESCCN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C14H14Cl2N2O2S/c1-2-18(10-11-4-3-5-12(15)8-11)21(19,20)13-6-7-14(16)17-9-13/h3-9H,2,10H2,1H3
InChIKeyIWNVKAZWEVFYJF-UHFFFAOYSA-N
MW345.25 g/mol
LogP3.60
Rot. Bonds5

About 6-chloro-N-[(3-chlorophenyl)methyl]-N-ethylpyridine-3-sulfonamide

6-chloro-N-[(3-chlorophenyl)methyl]-N-ethylpyridine-3-sulfonamide (PubChem CID 61045031) has the molecular formula C14H14Cl2N2O2S and a molecular weight of 345.25 g/mol. Its IUPAC name is 6-chloro-N-[(3-chlorophenyl)methyl]-N-ethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[(3-chlorophenyl)methyl]-N-ethylpyridine-3-sulfonamide
PubChem CID61045031
Molecular FormulaC14H14Cl2N2O2S
Molecular Weight345.25 g/mol
Exact Mass344.02
IUPAC Name6-chloro-N-[(3-chlorophenyl)methyl]-N-ethylpyridine-3-sulfonamide
SMILESCCN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C14H14Cl2N2O2S/c1-2-18(10-11-4-3-5-12(15)8-11)21(19,20)13-6-7-14(16)17-9-13/h3-9H,2,10H2,1H3
InChIKeyIWNVKAZWEVFYJF-UHFFFAOYSA-N
XLogP3.60
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.25
LogP ≤ 53.60
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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3-chlorophenyl)methyl]-N-ethylpyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-[(3-chlorophenyl)methyl]-N-ethylpyridine-3-sulfonamide (CID 61045031) is 6-chloro-N-[(3-chlorophenyl)methyl]-N-ethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[(3-chlorophenyl)methyl]-N-ethylpyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[(3-chlorophenyl)methyl]-N-ethylpyridine-3-sulfonamide is CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[(3-chlorophenyl)methyl]-N-ethylpyridine-3-sulfonamide?
The InChIKey is IWNVKAZWEVFYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2S/c1-2-18(10-11-4-3-5-12(15)8-11)21(19,20)13-6-7-14(16)17-9-13/h3-9H,2,10H2,1H3.
What are the key properties of 6-chloro-N-[(3-chlorophenyl)methyl]-N-ethylpyridine-3-sulfonamide?
6-chloro-N-[(3-chlorophenyl)methyl]-N-ethylpyridine-3-sulfonamide has a molecular weight of 345.25 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3-chlorophenyl)methyl]-N-ethylpyridine-3-sulfonamide is sourced from PubChem (CID 61045031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).