2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)ethanesulfonamide

C8H10Cl2N2O2S — CID 107652106

IUPAC2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)ethanesulfonamide
SMILESCc1ccnc(Cl)c1NS(=O)(=O)CCCl
InChIInChI=1S/C8H10Cl2N2O2S/c1-6-2-4-11-8(10)7(6)12-15(13,14)5-3-9/h2,4,12H,3,5H2,1H3
InChIKeyWKNLUQPWHVACNT-UHFFFAOYSA-N
MW269.15 g/mol
LogP2.02
Rot. Bonds4

About 2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)ethanesulfonamide

2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)ethanesulfonamide (PubChem CID 107652106) has the molecular formula C8H10Cl2N2O2S and a molecular weight of 269.15 g/mol. Its IUPAC name is 2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)ethanesulfonamide
PubChem CID107652106
Molecular FormulaC8H10Cl2N2O2S
Molecular Weight269.15 g/mol
Exact Mass267.98
IUPAC Name2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)ethanesulfonamide
SMILESCc1ccnc(Cl)c1NS(=O)(=O)CCCl
InChIInChI=1S/C8H10Cl2N2O2S/c1-6-2-4-11-8(10)7(6)12-15(13,14)5-3-9/h2,4,12H,3,5H2,1H3
InChIKeyWKNLUQPWHVACNT-UHFFFAOYSA-N
XLogP2.02
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.15
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)pyrimidine-5-sulfonamide
CID 65489476
5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80641824
2,5-dichloro-N-(2-chloro-4-methyl-3-pyridinyl)thiophene-3-sulfonamide
CID 114051247
3-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylbenzenesulfonamide
CID 65491849
5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2,3-difluorobenzenesulfonamide
CID 65489076
2-amino-5-chloro-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide
CID 65491458
3-amino-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide
CID 65488884
(2-chloro-4-methyl-3-pyridinyl)carbamic acid
CID 88545589
3-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 79885317
4-amino-3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide
CID 65489469
2-chloro-N-[(2-chloro-6-methylsulfonylphenyl)methyl]-4-methylpyridin-3-amine
CID 83169560
2-amino-4-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide
CID 65490667

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)ethanesulfonamide?
The IUPAC name of 2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)ethanesulfonamide (CID 107652106) is 2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)ethanesulfonamide?
The canonical SMILES for 2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)ethanesulfonamide is Cc1ccnc(Cl)c1NS(=O)(=O)CCCl.
What is the InChIKey of 2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)ethanesulfonamide?
The InChIKey is WKNLUQPWHVACNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2O2S/c1-6-2-4-11-8(10)7(6)12-15(13,14)5-3-9/h2,4,12H,3,5H2,1H3.
What are the key properties of 2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)ethanesulfonamide?
2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)ethanesulfonamide has a molecular weight of 269.15 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)ethanesulfonamide is sourced from PubChem (CID 107652106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).