N-(2-chloro-3-pyridinyl)-N-methylsulfonylmethanesulfonamide

C7H9ClN2O4S2 — CID 10850659

IUPACN-(2-chloro-3-pyridinyl)-N-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)N(c1cccnc1Cl)S(C)(=O)=O
InChIInChI=1S/C7H9ClN2O4S2/c1-15(11,12)10(16(2,13)14)6-4-3-5-9-7(6)8/h3-5H,1-2H3
InChIKeyGKQCLCROCCHHOM-UHFFFAOYSA-N
MW284.75 g/mol
LogP0.46
Rot. Bonds3

About N-(2-chloro-3-pyridinyl)-N-methylsulfonylmethanesulfonamide

N-(2-chloro-3-pyridinyl)-N-methylsulfonylmethanesulfonamide (PubChem CID 10850659) has the molecular formula C7H9ClN2O4S2 and a molecular weight of 284.75 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-N-methylsulfonylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-N-methylsulfonylmethanesulfonamide
PubChem CID10850659
Molecular FormulaC7H9ClN2O4S2
Molecular Weight284.75 g/mol
Exact Mass283.97
IUPAC NameN-(2-chloro-3-pyridinyl)-N-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)N(c1cccnc1Cl)S(C)(=O)=O
InChIInChI=1S/C7H9ClN2O4S2/c1-15(11,12)10(16(2,13)14)6-4-3-5-9-7(6)8/h3-5H,1-2H3
InChIKeyGKQCLCROCCHHOM-UHFFFAOYSA-N
XLogP0.46
TPSA84.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-chloro-3-pyridinyl)-N-methylsulfonylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-N-methylsulfonylmethanesulfonamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-N-methylsulfonylmethanesulfonamide (CID 10850659) is N-(2-chloro-3-pyridinyl)-N-methylsulfonylmethanesulfonamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-N-methylsulfonylmethanesulfonamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-N-methylsulfonylmethanesulfonamide is CS(=O)(=O)N(c1cccnc1Cl)S(C)(=O)=O.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-N-methylsulfonylmethanesulfonamide?
The InChIKey is GKQCLCROCCHHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O4S2/c1-15(11,12)10(16(2,13)14)6-4-3-5-9-7(6)8/h3-5H,1-2H3.
What are the key properties of N-(2-chloro-3-pyridinyl)-N-methylsulfonylmethanesulfonamide?
N-(2-chloro-3-pyridinyl)-N-methylsulfonylmethanesulfonamide has a molecular weight of 284.75 g/mol, XLogP of 0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-N-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 10850659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).