5-amino-3-chloro-2-fluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide

C12H11ClFN3O3S — CID 61125327

IUPAC5-amino-3-chloro-2-fluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
SMILESCn1cc(NS(=O)(=O)c2cc(N)cc(Cl)c2F)ccc1=O
InChIInChI=1S/C12H11ClFN3O3S/c1-17-6-8(2-3-11(17)18)16-21(19,20)10-5-7(15)4-9(13)12(10)14/h2-6,16H,15H2,1H3
InChIKeyUFJGWFKQMBXVNF-UHFFFAOYSA-N
MW331.76 g/mol
LogP1.56
Rot. Bonds3

About 5-amino-3-chloro-2-fluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide

5-amino-3-chloro-2-fluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide (PubChem CID 61125327) has the molecular formula C12H11ClFN3O3S and a molecular weight of 331.76 g/mol. Its IUPAC name is 5-amino-3-chloro-2-fluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-fluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
PubChem CID61125327
Molecular FormulaC12H11ClFN3O3S
Molecular Weight331.76 g/mol
Exact Mass331.02
IUPAC Name5-amino-3-chloro-2-fluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
SMILESCn1cc(NS(=O)(=O)c2cc(N)cc(Cl)c2F)ccc1=O
InChIInChI=1S/C12H11ClFN3O3S/c1-17-6-8(2-3-11(17)18)16-21(19,20)10-5-7(15)4-9(13)12(10)14/h2-6,16H,15H2,1H3
InChIKeyUFJGWFKQMBXVNF-UHFFFAOYSA-N
XLogP1.56
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-3-chloro-N-(3-chloro-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 43258123
3-amino-5-chloro-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
CID 114379246
5-amino-N-(3-bromo-4-fluorophenyl)-3-chloro-2-fluorobenzenesulfonamide
CID 104775483
5-amino-N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80629247
3-chloro-4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
CID 47389543
5-amino-N-(3,4-dichlorophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80629046
5-amino-3-chloro-N-(3-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 43258199
5-amino-3-chloro-2-fluoro-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62903482
5-amino-3-chloro-2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 43257519
5-amino-3-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluorobenzenesulfonamide
CID 61464277
2-amino-3,6-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
CID 103171310
5-amino-N-(2-bromo-3-chlorophenyl)-3-chloro-2-fluorobenzenesulfonamide
CID 103477337

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-fluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 5-amino-3-chloro-2-fluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide (CID 61125327) is 5-amino-3-chloro-2-fluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-3-chloro-2-fluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 5-amino-3-chloro-2-fluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide is Cn1cc(NS(=O)(=O)c2cc(N)cc(Cl)c2F)ccc1=O.
What is the InChIKey of 5-amino-3-chloro-2-fluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide?
The InChIKey is UFJGWFKQMBXVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O3S/c1-17-6-8(2-3-11(17)18)16-21(19,20)10-5-7(15)4-9(13)12(10)14/h2-6,16H,15H2,1H3.
What are the key properties of 5-amino-3-chloro-2-fluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide?
5-amino-3-chloro-2-fluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide has a molecular weight of 331.76 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-fluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 61125327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).