2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpyridine-4-sulfonamide

C13H11Cl3N2O2S — CID 61051895

IUPAC2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpyridine-4-sulfonamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C13H11Cl3N2O2S/c1-18(8-9-2-3-11(14)12(15)6-9)21(19,20)10-4-5-17-13(16)7-10/h2-7H,8H2,1H3
InChIKeyMXXMNACTQAJVEV-UHFFFAOYSA-N
MW365.67 g/mol
LogP3.86
Rot. Bonds4

About 2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpyridine-4-sulfonamide

2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpyridine-4-sulfonamide (PubChem CID 61051895) has the molecular formula C13H11Cl3N2O2S and a molecular weight of 365.67 g/mol. Its IUPAC name is 2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpyridine-4-sulfonamide
PubChem CID61051895
Molecular FormulaC13H11Cl3N2O2S
Molecular Weight365.67 g/mol
Exact Mass363.96
IUPAC Name2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpyridine-4-sulfonamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C13H11Cl3N2O2S/c1-18(8-9-2-3-11(14)12(15)6-9)21(19,20)10-4-5-17-13(16)7-10/h2-7H,8H2,1H3
InChIKeyMXXMNACTQAJVEV-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

2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyridine-4-sulfonamide
CID 61050922
N-[(3,4-dichlorophenyl)methyl]-N-methylmethanesulfonamide
CID 60681368
2-chloro-N-(2-cyanoethyl)-N-methylpyridine-4-sulfonamide
CID 61003109
2-amino-N-[(3-chlorophenyl)methyl]-N-methylpyridine-4-sulfonamide
CID 62158182
2-chloro-N-methyl-N-(3-phenylpropyl)pyridine-4-sulfonamide
CID 61053398
2-chloro-N-(2-cyanopropyl)-N-methylpyridine-4-sulfonamide
CID 61046101
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide
CID 61435899
2-chloro-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methylpyridine-4-sulfonamide
CID 61047563
4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 30329404
N-[(3,4-dichlorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60723953
6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 7510031
N-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-4-sulfonamide
CID 61415701

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpyridine-4-sulfonamide (CID 61051895) is 2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpyridine-4-sulfonamide is CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpyridine-4-sulfonamide?
The InChIKey is MXXMNACTQAJVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl3N2O2S/c1-18(8-9-2-3-11(14)12(15)6-9)21(19,20)10-4-5-17-13(16)7-10/h2-7H,8H2,1H3.
What are the key properties of 2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpyridine-4-sulfonamide?
2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpyridine-4-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 2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpyridine-4-sulfonamide is sourced from PubChem (CID 61051895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).