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

C7H9ClN2O2S — CID 79043239

IUPAC1-chloro-N-(2-methyl-3-pyridinyl)methanesulfonamide
SMILESCc1ncccc1NS(=O)(=O)CCl
InChIInChI=1S/C7H9ClN2O2S/c1-6-7(3-2-4-9-6)10-13(11,12)5-8/h2-4,10H,5H2,1H3
InChIKeyPIZQIJHCXGYTSY-UHFFFAOYSA-N
MW220.68 g/mol
LogP1.33
Rot. Bonds3

About 1-chloro-N-(2-methyl-3-pyridinyl)methanesulfonamide

1-chloro-N-(2-methyl-3-pyridinyl)methanesulfonamide (PubChem CID 79043239) has the molecular formula C7H9ClN2O2S and a molecular weight of 220.68 g/mol. Its IUPAC name is 1-chloro-N-(2-methyl-3-pyridinyl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-(2-methyl-3-pyridinyl)methanesulfonamide
PubChem CID79043239
Molecular FormulaC7H9ClN2O2S
Molecular Weight220.68 g/mol
Exact Mass220.01
IUPAC Name1-chloro-N-(2-methyl-3-pyridinyl)methanesulfonamide
SMILESCc1ncccc1NS(=O)(=O)CCl
InChIInChI=1S/C7H9ClN2O2S/c1-6-7(3-2-4-9-6)10-13(11,12)5-8/h2-4,10H,5H2,1H3
InChIKeyPIZQIJHCXGYTSY-UHFFFAOYSA-N
XLogP1.33
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.68
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-chloro-N-(2,3-dimethylphenyl)methanesulfonamide
CID 63665725
N-(2-methyl-3-pyridinyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106070211
1-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanesulfonamide
CID 63665812
2-(4-aminophenoxy)-N-(2-methyl-3-pyridinyl)ethanesulfonamide
CID 79042980
3-[(2-methyl-3-pyridinyl)sulfamoylmethyl]benzoic acid
CID 79042788
1-chloro-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanesulfonamide
CID 63666407
2-(ethylamino)-N-(2-methyl-3-pyridinyl)pyridine-3-sulfonamide
CID 79043589
2-methyl-N-[(4-methylphenyl)methyl]pyridin-3-amine
CID 79041910
1-chloro-N-[2-(2-methoxyethyl)phenyl]methanesulfonamide
CID 102907633
4-chloro-N-(2-methyl-3-pyridinyl)butanamide
CID 79042686
3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methylpyridine
CID 79042089
3-amino-2,5-dimethyl-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 79889757

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(2-methyl-3-pyridinyl)methanesulfonamide?
The IUPAC name of 1-chloro-N-(2-methyl-3-pyridinyl)methanesulfonamide (CID 79043239) is 1-chloro-N-(2-methyl-3-pyridinyl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-(2-methyl-3-pyridinyl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-(2-methyl-3-pyridinyl)methanesulfonamide is Cc1ncccc1NS(=O)(=O)CCl.
What is the InChIKey of 1-chloro-N-(2-methyl-3-pyridinyl)methanesulfonamide?
The InChIKey is PIZQIJHCXGYTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2S/c1-6-7(3-2-4-9-6)10-13(11,12)5-8/h2-4,10H,5H2,1H3.
What are the key properties of 1-chloro-N-(2-methyl-3-pyridinyl)methanesulfonamide?
1-chloro-N-(2-methyl-3-pyridinyl)methanesulfonamide has a molecular weight of 220.68 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(2-methyl-3-pyridinyl)methanesulfonamide is sourced from PubChem (CID 79043239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).