N-(6-chloro-2-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide

C12H10ClFN2O2S — CID 113456965

IUPACN-(6-chloro-2-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1cccc(Cl)n1
InChIInChI=1S/C12H10ClFN2O2S/c1-8-5-6-9(14)7-10(8)19(17,18)16-12-4-2-3-11(13)15-12/h2-7H,1H3,(H,15,16)
InChIKeyNPJAXSKSQSAPON-UHFFFAOYSA-N
MW300.74 g/mol
LogP2.98
Rot. Bonds3

About N-(6-chloro-2-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide

N-(6-chloro-2-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide (PubChem CID 113456965) has the molecular formula C12H10ClFN2O2S and a molecular weight of 300.74 g/mol. Its IUPAC name is N-(6-chloro-2-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(6-chloro-2-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide
PubChem CID113456965
Molecular FormulaC12H10ClFN2O2S
Molecular Weight300.74 g/mol
Exact Mass300.01
IUPAC NameN-(6-chloro-2-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1cccc(Cl)n1
InChIInChI=1S/C12H10ClFN2O2S/c1-8-5-6-9(14)7-10(8)19(17,18)16-12-4-2-3-11(13)15-12/h2-7H,1H3,(H,15,16)
InChIKeyNPJAXSKSQSAPON-UHFFFAOYSA-N
XLogP2.98
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(6-chloro-2-pyridinyl)-2,5-difluorobenzenesulfonamide
CID 104821362
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 3726599
N-(6-chloro-2-pyridinyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 104821325
N-(6-chloro-2-pyridinyl)-2,5-dimethylthiophene-3-sulfonamide
CID 104821321
5-fluoro-N-[5-(4-fluorophenyl)-6-methyl-2-pyridinyl]-2-methylbenzenesulfonamide
CID 11617715
N-(2-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 47308992
N-[5-(2,3-dichlorophenyl)-2-pyridinyl]-5-fluoro-2-methylbenzenesulfonamide
CID 11618445
2,3-dichloro-N-(6-chloro-2-pyridinyl)benzenesulfonamide
CID 113456961
N-(6-chloro-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide
CID 104821363
3-amino-5-chloro-N-(6-chloro-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 103051902
5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 47309539
N-(5-amino-4-methyl-2-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide
CID 61293161

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-(6-chloro-2-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide (CID 113456965) is N-(6-chloro-2-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(6-chloro-2-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(6-chloro-2-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(Cl)n1.
What is the InChIKey of N-(6-chloro-2-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide?
The InChIKey is NPJAXSKSQSAPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O2S/c1-8-5-6-9(14)7-10(8)19(17,18)16-12-4-2-3-11(13)15-12/h2-7H,1H3,(H,15,16).
What are the key properties of N-(6-chloro-2-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide?
N-(6-chloro-2-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide has a molecular weight of 300.74 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 113456965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).