N-(2-chloro-5-methyl-3-pyridinyl)-3-fluoro-4-methoxybenzenesulfonamide

C13H12ClFN2O3S — CID 102976123

IUPACN-(2-chloro-5-methyl-3-pyridinyl)-3-fluoro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(C)cnc2Cl)cc1F
InChIInChI=1S/C13H12ClFN2O3S/c1-8-5-11(13(14)16-7-8)17-21(18,19)9-3-4-12(20-2)10(15)6-9/h3-7,17H,1-2H3
InChIKeyPIPRVYQPRKSFHD-UHFFFAOYSA-N
MW330.77 g/mol
LogP2.99
Rot. Bonds4

About N-(2-chloro-5-methyl-3-pyridinyl)-3-fluoro-4-methoxybenzenesulfonamide

N-(2-chloro-5-methyl-3-pyridinyl)-3-fluoro-4-methoxybenzenesulfonamide (PubChem CID 102976123) has the molecular formula C13H12ClFN2O3S and a molecular weight of 330.77 g/mol. Its IUPAC name is N-(2-chloro-5-methyl-3-pyridinyl)-3-fluoro-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-5-methyl-3-pyridinyl)-3-fluoro-4-methoxybenzenesulfonamide
PubChem CID102976123
Molecular FormulaC13H12ClFN2O3S
Molecular Weight330.77 g/mol
Exact Mass330.02
IUPAC NameN-(2-chloro-5-methyl-3-pyridinyl)-3-fluoro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(C)cnc2Cl)cc1F
InChIInChI=1S/C13H12ClFN2O3S/c1-8-5-11(13(14)16-7-8)17-21(18,19)9-3-4-12(20-2)10(15)6-9/h3-7,17H,1-2H3
InChIKeyPIPRVYQPRKSFHD-UHFFFAOYSA-N
XLogP2.99
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-chloro-5-methyl-3-pyridinyl)-3-fluoro-4-methoxybenzenesulfonamide 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

3-fluoro-4-methoxy-N-(2-methoxy-5-methylphenyl)benzenesulfonamide
CID 39825262
N-(2-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 102976117
3-fluoro-4-methoxy-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 112811750
N-(2,5-dichlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 19109274
N-(2-chloro-5-methyl-3-pyridinyl)-4-propan-2-ylbenzenesulfonamide
CID 102976182
N-(4-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 19109264
3-bromo-N-(2-chloro-5-methyl-3-pyridinyl)benzenesulfonamide
CID 102976125
3-fluoro-4-methoxy-N-(2-phenylphenyl)benzenesulfonamide
CID 39825493
3-fluoro-4-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 19109258
3-fluoro-4-methoxy-N-(7-methoxy-1H-benzimidazol-4-yl)benzenesulfonamide
CID 53349725
N-[2-(4-amino-2-methoxyphenoxy)-5-methyl-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 167495752
3-chloro-N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 974272

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methyl-3-pyridinyl)-3-fluoro-4-methoxybenzenesulfonamide?
The IUPAC name of N-(2-chloro-5-methyl-3-pyridinyl)-3-fluoro-4-methoxybenzenesulfonamide (CID 102976123) is N-(2-chloro-5-methyl-3-pyridinyl)-3-fluoro-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2-chloro-5-methyl-3-pyridinyl)-3-fluoro-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(2-chloro-5-methyl-3-pyridinyl)-3-fluoro-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc(C)cnc2Cl)cc1F.
What is the InChIKey of N-(2-chloro-5-methyl-3-pyridinyl)-3-fluoro-4-methoxybenzenesulfonamide?
The InChIKey is PIPRVYQPRKSFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O3S/c1-8-5-11(13(14)16-7-8)17-21(18,19)9-3-4-12(20-2)10(15)6-9/h3-7,17H,1-2H3.
What are the key properties of N-(2-chloro-5-methyl-3-pyridinyl)-3-fluoro-4-methoxybenzenesulfonamide?
N-(2-chloro-5-methyl-3-pyridinyl)-3-fluoro-4-methoxybenzenesulfonamide has a molecular weight of 330.77 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methyl-3-pyridinyl)-3-fluoro-4-methoxybenzenesulfonamide is sourced from PubChem (CID 102976123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).