N-(2-chloro-6-methyl-3-pyridinyl)methanesulfonamide

C7H9ClN2O2S — CID 126989322

IUPACN-(2-chloro-6-methyl-3-pyridinyl)methanesulfonamide
SMILESCc1ccc(NS(C)(=O)=O)c(Cl)n1
InChIInChI=1S/C7H9ClN2O2S/c1-5-3-4-6(7(8)9-5)10-13(2,11)12/h3-4,10H,1-2H3
InChIKeyNEDXIAUSWQDAND-UHFFFAOYSA-N
MW220.68 g/mol
LogP1.41
Rot. Bonds2

About N-(2-chloro-6-methyl-3-pyridinyl)methanesulfonamide

N-(2-chloro-6-methyl-3-pyridinyl)methanesulfonamide (PubChem CID 126989322) has the molecular formula C7H9ClN2O2S and a molecular weight of 220.68 g/mol. Its IUPAC name is N-(2-chloro-6-methyl-3-pyridinyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-6-methyl-3-pyridinyl)methanesulfonamide
PubChem CID126989322
Molecular FormulaC7H9ClN2O2S
Molecular Weight220.68 g/mol
Exact Mass220.01
IUPAC NameN-(2-chloro-6-methyl-3-pyridinyl)methanesulfonamide
SMILESCc1ccc(NS(C)(=O)=O)c(Cl)n1
InChIInChI=1S/C7H9ClN2O2S/c1-5-3-4-6(7(8)9-5)10-13(2,11)12/h3-4,10H,1-2H3
InChIKeyNEDXIAUSWQDAND-UHFFFAOYSA-N
XLogP1.41
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.68
LogP ≤ 51.41
H-Bond Donors ≤ 51
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-methylquinolin-8-yl)methanesulfonamide
CID 46887816
2-chloro-N-ethenyl-6-methylpyridin-3-amine
CID 91844885
2-chloro-6-methylpyridine-3-sulfonyl chloride
CID 55280564
N-(6-chloro-3-methyl-2-pyridinyl)methanesulfonamide
CID 162736563
N-(2,6-difluoro-3-pyridinyl)methanesulfonamide
CID 103098097
N-(3-chloro-2-methylphenyl)methanesulfonamide
CID 669020
N-[3-chloro-4-(methanesulfonamido)phenyl]methanesulfonamide
CID 5120140
N-(4,5-dichloro-2-methylphenyl)methanesulfonamide
CID 22894122
N-(4,6-dimethylpyrimidin-2-yl)methanesulfonamide
CID 5157234
N-(2,6-dimethyl-4-pyridinyl)methanesulfonamide
CID 130662680
2-(methanesulfonamido)-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 86820814
N-(4-chloro-2-propan-2-ylphenyl)methanesulfonamide
CID 58029497

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methyl-3-pyridinyl)methanesulfonamide?
The IUPAC name of N-(2-chloro-6-methyl-3-pyridinyl)methanesulfonamide (CID 126989322) is N-(2-chloro-6-methyl-3-pyridinyl)methanesulfonamide.
What is the SMILES notation for N-(2-chloro-6-methyl-3-pyridinyl)methanesulfonamide?
The canonical SMILES for N-(2-chloro-6-methyl-3-pyridinyl)methanesulfonamide is Cc1ccc(NS(C)(=O)=O)c(Cl)n1.
What is the InChIKey of N-(2-chloro-6-methyl-3-pyridinyl)methanesulfonamide?
The InChIKey is NEDXIAUSWQDAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2S/c1-5-3-4-6(7(8)9-5)10-13(2,11)12/h3-4,10H,1-2H3.
What are the key properties of N-(2-chloro-6-methyl-3-pyridinyl)methanesulfonamide?
N-(2-chloro-6-methyl-3-pyridinyl)methanesulfonamide has a molecular weight of 220.68 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methyl-3-pyridinyl)methanesulfonamide is sourced from PubChem (CID 126989322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).