2-chloro-N-(2-methyl-5-nitrophenyl)pyridine-4-sulfonamide

C12H10ClN3O4S — CID 61051309

IUPAC2-chloro-N-(2-methyl-5-nitrophenyl)pyridine-4-sulfonamide
SMILESCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C12H10ClN3O4S/c1-8-2-3-9(16(17)18)6-11(8)15-21(19,20)10-4-5-14-12(13)7-10/h2-7,15H,1H3
InChIKeyPMKYGGNWPPBZJG-UHFFFAOYSA-N
MW327.75 g/mol
LogP2.75
Rot. Bonds4

About 2-chloro-N-(2-methyl-5-nitrophenyl)pyridine-4-sulfonamide

2-chloro-N-(2-methyl-5-nitrophenyl)pyridine-4-sulfonamide (PubChem CID 61051309) has the molecular formula C12H10ClN3O4S and a molecular weight of 327.75 g/mol. Its IUPAC name is 2-chloro-N-(2-methyl-5-nitrophenyl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-methyl-5-nitrophenyl)pyridine-4-sulfonamide
PubChem CID61051309
Molecular FormulaC12H10ClN3O4S
Molecular Weight327.75 g/mol
Exact Mass327.01
IUPAC Name2-chloro-N-(2-methyl-5-nitrophenyl)pyridine-4-sulfonamide
SMILESCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C12H10ClN3O4S/c1-8-2-3-9(16(17)18)6-11(8)15-21(19,20)10-4-5-14-12(13)7-10/h2-7,15H,1H3
InChIKeyPMKYGGNWPPBZJG-UHFFFAOYSA-N
XLogP2.75
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.75
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(2-methyl-5-nitrophenyl)pyridine-4-sulfonamide 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

N-(2-methyl-5-nitrophenyl)-4-propan-2-ylbenzenesulfonamide
CID 7938611
4-fluoro-3-methyl-N-(2-methyl-5-nitrophenyl)benzenesulfonamide
CID 98674097
2-chloro-N-(2-nitrophenyl)pyridine-4-sulfonamide
CID 61051817
3,4-dimethyl-N-(2-methyl-4-nitrophenyl)benzenesulfonamide
CID 22774279
4-bromo-2-chloro-N-(2-methyl-5-nitrophenyl)benzenesulfonamide
CID 7510436
N-(5-fluoro-2-methylphenyl)-4-nitrobenzenesulfonamide
CID 7514342
N-(2-methyl-5-nitrophenyl)quinoline-8-sulfonamide
CID 4307070
2-chloro-N-(2,6-difluoro-3-methylphenyl)pyridine-4-sulfonamide
CID 82819125
2-chloro-N-(3-chloro-2-methylphenyl)pyridine-4-sulfonamide
CID 54895530
2-chloro-N-(4-chloro-3-nitrophenyl)pyridine-4-sulfonamide
CID 61051683
6-chloro-N-(2-methyl-5-nitrophenyl)pyrimidin-4-amine
CID 86061071
2-chloro-N-(2-fluoro-4-methylphenyl)pyridine-4-sulfonamide
CID 54896062

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methyl-5-nitrophenyl)pyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-(2-methyl-5-nitrophenyl)pyridine-4-sulfonamide (CID 61051309) is 2-chloro-N-(2-methyl-5-nitrophenyl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2-methyl-5-nitrophenyl)pyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-(2-methyl-5-nitrophenyl)pyridine-4-sulfonamide is Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-(2-methyl-5-nitrophenyl)pyridine-4-sulfonamide?
The InChIKey is PMKYGGNWPPBZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O4S/c1-8-2-3-9(16(17)18)6-11(8)15-21(19,20)10-4-5-14-12(13)7-10/h2-7,15H,1H3.
What are the key properties of 2-chloro-N-(2-methyl-5-nitrophenyl)pyridine-4-sulfonamide?
2-chloro-N-(2-methyl-5-nitrophenyl)pyridine-4-sulfonamide has a molecular weight of 327.75 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methyl-5-nitrophenyl)pyridine-4-sulfonamide is sourced from PubChem (CID 61051309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).