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

C7H9ClN2O2S — CID 162736563

IUPACN-(6-chloro-3-methyl-2-pyridinyl)methanesulfonamide
SMILESCc1ccc(Cl)nc1NS(C)(=O)=O
InChIInChI=1S/C7H9ClN2O2S/c1-5-3-4-6(8)9-7(5)10-13(2,11)12/h3-4H,1-2H3,(H,9,10)
InChIKeyRELHCUOPJFUATM-UHFFFAOYSA-N
MW220.68 g/mol
LogP1.41
Rot. Bonds2

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

N-(6-chloro-3-methyl-2-pyridinyl)methanesulfonamide (PubChem CID 162736563) has the molecular formula C7H9ClN2O2S and a molecular weight of 220.68 g/mol. Its IUPAC name is N-(6-chloro-3-methyl-2-pyridinyl)methanesulfonamide.

Molecular Properties

Compound NameN-(6-chloro-3-methyl-2-pyridinyl)methanesulfonamide
PubChem CID162736563
Molecular FormulaC7H9ClN2O2S
Molecular Weight220.68 g/mol
Exact Mass220.01
IUPAC NameN-(6-chloro-3-methyl-2-pyridinyl)methanesulfonamide
SMILESCc1ccc(Cl)nc1NS(C)(=O)=O
InChIInChI=1S/C7H9ClN2O2S/c1-5-3-4-6(8)9-7(5)10-13(2,11)12/h3-4H,1-2H3,(H,9,10)
InChIKeyRELHCUOPJFUATM-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-chloro-6-methyl-3-pyridinyl)methanesulfonamide
CID 126989322
2,6-dichloro-3-methylpyridine
CID 817088
CID 161067941
CID 161067941
N-(4,5-dichloro-2-methylphenyl)methanesulfonamide
CID 22894122
N-(2-methylnaphthalen-1-yl)methanesulfonamide
CID 1482866
2,6-dichloro-3-methylpyridine;hydrochloride
CID 45382145
6-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]pyridine-3-carboxylic acid
CID 63859490
N-(3-chloro-2-methylphenyl)methanesulfonamide
CID 669020
N-(6-chloro-3-nitro-2-pyridinyl)ethanesulfonamide
CID 104821414
5-bromo-N-(6-chloro-2-methyl-3-pyridinyl)-2-methylbenzenesulfonamide
CID 107266690
N-(6-chloro-3-nitro-2-pyridinyl)-2-methylsulfonylethanesulfonamide
CID 104821425
N-(2-methylquinolin-8-yl)methanesulfonamide
CID 46887816

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-methyl-2-pyridinyl)methanesulfonamide?
The IUPAC name of N-(6-chloro-3-methyl-2-pyridinyl)methanesulfonamide (CID 162736563) is N-(6-chloro-3-methyl-2-pyridinyl)methanesulfonamide.
What is the SMILES notation for N-(6-chloro-3-methyl-2-pyridinyl)methanesulfonamide?
The canonical SMILES for N-(6-chloro-3-methyl-2-pyridinyl)methanesulfonamide is Cc1ccc(Cl)nc1NS(C)(=O)=O.
What is the InChIKey of N-(6-chloro-3-methyl-2-pyridinyl)methanesulfonamide?
The InChIKey is RELHCUOPJFUATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2S/c1-5-3-4-6(8)9-7(5)10-13(2,11)12/h3-4H,1-2H3,(H,9,10).
What are the key properties of N-(6-chloro-3-methyl-2-pyridinyl)methanesulfonamide?
N-(6-chloro-3-methyl-2-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-(6-chloro-3-methyl-2-pyridinyl)methanesulfonamide is sourced from PubChem (CID 162736563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).