N-(3-chloro-4-methoxyphenyl)-2-(methylamino)pyridine-3-sulfonamide

C13H14ClN3O3S — CID 62164737

IUPACN-(3-chloro-4-methoxyphenyl)-2-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncccc1S(=O)(=O)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C13H14ClN3O3S/c1-15-13-12(4-3-7-16-13)21(18,19)17-9-5-6-11(20-2)10(14)8-9/h3-8,17H,1-2H3,(H,15,16)
InChIKeySXECFFKBUNGWCY-UHFFFAOYSA-N
MW327.79 g/mol
LogP2.59
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-2-(methylamino)pyridine-3-sulfonamide

N-(3-chloro-4-methoxyphenyl)-2-(methylamino)pyridine-3-sulfonamide (PubChem CID 62164737) has the molecular formula C13H14ClN3O3S and a molecular weight of 327.79 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(methylamino)pyridine-3-sulfonamide
PubChem CID62164737
Molecular FormulaC13H14ClN3O3S
Molecular Weight327.79 g/mol
Exact Mass327.04
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncccc1S(=O)(=O)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C13H14ClN3O3S/c1-15-13-12(4-3-7-16-13)21(18,19)17-9-5-6-11(20-2)10(14)8-9/h3-8,17H,1-2H3,(H,15,16)
InChIKeySXECFFKBUNGWCY-UHFFFAOYSA-N
XLogP2.59
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-methoxy-3-pyridinyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62150607
methyl 2-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate
CID 8523413
N-(4-bromo-3-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62149915
N-(3-chloro-4-methoxyphenyl)pyridine-3-sulfonamide
CID 110865835
N-(4-bromo-2,6-dichlorophenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62142676
N-(2-chloro-5-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 107630568
N-(3-ethylphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62144380
N-(5-chloro-2-pyridinyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62143012
4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 808097
N-(3,4-dimethylphenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 43456741
N-(2-bromo-5-chlorophenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 81274698
2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-sulfonamide
CID 24621377

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(methylamino)pyridine-3-sulfonamide (CID 62164737) is N-(3-chloro-4-methoxyphenyl)-2-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(methylamino)pyridine-3-sulfonamide is CNc1ncccc1S(=O)(=O)Nc1ccc(OC)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(methylamino)pyridine-3-sulfonamide?
The InChIKey is SXECFFKBUNGWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3S/c1-15-13-12(4-3-7-16-13)21(18,19)17-9-5-6-11(20-2)10(14)8-9/h3-8,17H,1-2H3,(H,15,16).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(methylamino)pyridine-3-sulfonamide?
N-(3-chloro-4-methoxyphenyl)-2-(methylamino)pyridine-3-sulfonamide has a molecular weight of 327.79 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62164737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).