5,6-dichloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-sulfonamide

C13H11Cl3N2O2S — CID 64608949

IUPAC5,6-dichloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-sulfonamide
SMILESCN(Cc1ccccc1Cl)S(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H11Cl3N2O2S/c1-18(8-9-4-2-3-5-11(9)14)21(19,20)10-6-12(15)13(16)17-7-10/h2-7H,8H2,1H3
InChIKeyNOXKCIYJFBOAHR-UHFFFAOYSA-N
MW365.67 g/mol
LogP3.86
Rot. Bonds4

About 5,6-dichloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-sulfonamide

5,6-dichloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-sulfonamide (PubChem CID 64608949) has the molecular formula C13H11Cl3N2O2S and a molecular weight of 365.67 g/mol. Its IUPAC name is 5,6-dichloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-sulfonamide
PubChem CID64608949
Molecular FormulaC13H11Cl3N2O2S
Molecular Weight365.67 g/mol
Exact Mass363.96
IUPAC Name5,6-dichloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-sulfonamide
SMILESCN(Cc1ccccc1Cl)S(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H11Cl3N2O2S/c1-18(8-9-4-2-3-5-11(9)14)21(19,20)10-6-12(15)13(16)17-7-10/h2-7H,8H2,1H3
InChIKeyNOXKCIYJFBOAHR-UHFFFAOYSA-N
XLogP3.86
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.67
LogP ≤ 53.86
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

N-[(2-chlorophenyl)methyl]-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide
CID 62152999
3-chloro-N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 37497114
3-amino-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105167
4-bromo-N-[(2-chlorophenyl)methyl]-3-fluoro-N-methylbenzenesulfonamide
CID 103697187
2-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 7937774
N-butyl-5,6-dichloro-N-methylpyridine-3-sulfonamide
CID 64625358
N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 7510019
2-amino-4-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105926
4-(bromomethyl)-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 65482585
6-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 31391554
3-chloro-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 7937737
5,6-dichloro-N-(3-methoxypropyl)-N-methylpyridine-3-sulfonamide
CID 64608229

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-sulfonamide (CID 64608949) is 5,6-dichloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-sulfonamide is CN(Cc1ccccc1Cl)S(=O)(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-sulfonamide?
The InChIKey is NOXKCIYJFBOAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl3N2O2S/c1-18(8-9-4-2-3-5-11(9)14)21(19,20)10-6-12(15)13(16)17-7-10/h2-7H,8H2,1H3.
What are the key properties of 5,6-dichloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-sulfonamide?
5,6-dichloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-sulfonamide has a molecular weight of 365.67 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 64608949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).