5-methyl-4-nitropyridine-2-sulfonyl chloride

C6H5ClN2O4S — CID 83271751

IUPAC5-methyl-4-nitropyridine-2-sulfonyl chloride
SMILESCc1cnc(S(=O)(=O)Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C6H5ClN2O4S/c1-4-3-8-6(14(7,12)13)2-5(4)9(10)11/h2-3H,1H3
InChIKeyDIUBZOYEKKIVHJ-UHFFFAOYSA-N
MW236.64 g/mol
LogP1.23
Rot. Bonds2

About 5-methyl-4-nitropyridine-2-sulfonyl chloride

5-methyl-4-nitropyridine-2-sulfonyl chloride (PubChem CID 83271751) has the molecular formula C6H5ClN2O4S and a molecular weight of 236.64 g/mol. Its IUPAC name is 5-methyl-4-nitropyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name5-methyl-4-nitropyridine-2-sulfonyl chloride
PubChem CID83271751
Molecular FormulaC6H5ClN2O4S
Molecular Weight236.64 g/mol
Exact Mass235.97
IUPAC Name5-methyl-4-nitropyridine-2-sulfonyl chloride
SMILESCc1cnc(S(=O)(=O)Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C6H5ClN2O4S/c1-4-3-8-6(14(7,12)13)2-5(4)9(10)11/h2-3H,1H3
InChIKeyDIUBZOYEKKIVHJ-UHFFFAOYSA-N
XLogP1.23
TPSA90.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.64
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-methyl-4-nitropyridine-2-sulfonyl chloride with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-chloroethylsulfonyl)-5-methyl-4-nitropyridine
CID 83267395
4-bromo-5-nitropyridine-2-sulfonyl chloride
CID 118845533
2-[(5-methyl-4-nitro-2-pyridinyl)sulfonyl]ethanesulfonamide
CID 83271929
5-methyl-4-nitro-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 134671418
5-chloro-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride
CID 131446499
4-iodo-2-methyl-5-nitrobenzenesulfonyl chloride
CID 172969697
N-ethyl-5-methyl-4-nitropyridin-2-amine
CID 15372751
2-[(5-methyl-4-nitro-2-pyridinyl)amino]ethanesulfonamide
CID 83268563
6-chloro-5-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride
CID 131450851
2-(2-chlorobutyl)-5-methyl-4-nitropyridine
CID 83271579
6-methyl-7-nitroquinoxaline
CID 55271661
N-[2-methyl-1-[(5-methyl-4-nitro-2-pyridinyl)amino]propan-2-yl]methanesulfonamide
CID 83269054

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-nitropyridine-2-sulfonyl chloride?
The IUPAC name of 5-methyl-4-nitropyridine-2-sulfonyl chloride (CID 83271751) is 5-methyl-4-nitropyridine-2-sulfonyl chloride.
What is the SMILES notation for 5-methyl-4-nitropyridine-2-sulfonyl chloride?
The canonical SMILES for 5-methyl-4-nitropyridine-2-sulfonyl chloride is Cc1cnc(S(=O)(=O)Cl)cc1[N+](=O)[O-].
What is the InChIKey of 5-methyl-4-nitropyridine-2-sulfonyl chloride?
The InChIKey is DIUBZOYEKKIVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O4S/c1-4-3-8-6(14(7,12)13)2-5(4)9(10)11/h2-3H,1H3.
What are the key properties of 5-methyl-4-nitropyridine-2-sulfonyl chloride?
5-methyl-4-nitropyridine-2-sulfonyl chloride has a molecular weight of 236.64 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-nitropyridine-2-sulfonyl chloride is sourced from PubChem (CID 83271751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).