5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2,3-difluorobenzenesulfonamide

C12H10ClF2N3O2S — CID 65489076

IUPAC5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2,3-difluorobenzenesulfonamide
SMILESCc1ccnc(Cl)c1NS(=O)(=O)c1cc(N)cc(F)c1F
InChIInChI=1S/C12H10ClF2N3O2S/c1-6-2-3-17-12(13)11(6)18-21(19,20)9-5-7(16)4-8(14)10(9)15/h2-5,18H,16H2,1H3
InChIKeyGVOXFIJLWLPNJK-UHFFFAOYSA-N
MW333.75 g/mol
LogP2.70
Rot. Bonds3

About 5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2,3-difluorobenzenesulfonamide

5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2,3-difluorobenzenesulfonamide (PubChem CID 65489076) has the molecular formula C12H10ClF2N3O2S and a molecular weight of 333.75 g/mol. Its IUPAC name is 5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2,3-difluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2,3-difluorobenzenesulfonamide
PubChem CID65489076
Molecular FormulaC12H10ClF2N3O2S
Molecular Weight333.75 g/mol
Exact Mass333.02
IUPAC Name5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2,3-difluorobenzenesulfonamide
SMILESCc1ccnc(Cl)c1NS(=O)(=O)c1cc(N)cc(F)c1F
InChIInChI=1S/C12H10ClF2N3O2S/c1-6-2-3-17-12(13)11(6)18-21(19,20)9-5-7(16)4-8(14)10(9)15/h2-5,18H,16H2,1H3
InChIKeyGVOXFIJLWLPNJK-UHFFFAOYSA-N
XLogP2.70
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.75
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80641824
2-amino-5-chloro-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide
CID 65491458
3-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 79885317
2-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 65490489
5-amino-N-(2-chloro-3-pyridinyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80645770
2-amino-4-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide
CID 65490667
3-amino-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide
CID 65488884
4-amino-3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide
CID 65489469
5-amino-N-(2-chloro-5-methylphenyl)-2,3-difluorobenzenesulfonamide
CID 107624495
5-amino-N-(2-chloropyrimidin-4-yl)-2-fluoro-3-methylbenzenesulfonamide
CID 116794695
3-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylbenzenesulfonamide
CID 65491849
2,5-dichloro-N-(2-chloro-4-methyl-3-pyridinyl)thiophene-3-sulfonamide
CID 114051247

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2,3-difluorobenzenesulfonamide?
The IUPAC name of 5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2,3-difluorobenzenesulfonamide (CID 65489076) is 5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2,3-difluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2,3-difluorobenzenesulfonamide?
The canonical SMILES for 5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2,3-difluorobenzenesulfonamide is Cc1ccnc(Cl)c1NS(=O)(=O)c1cc(N)cc(F)c1F.
What is the InChIKey of 5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2,3-difluorobenzenesulfonamide?
The InChIKey is GVOXFIJLWLPNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF2N3O2S/c1-6-2-3-17-12(13)11(6)18-21(19,20)9-5-7(16)4-8(14)10(9)15/h2-5,18H,16H2,1H3.
What are the key properties of 5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2,3-difluorobenzenesulfonamide?
5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2,3-difluorobenzenesulfonamide has a molecular weight of 333.75 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2,3-difluorobenzenesulfonamide is sourced from PubChem (CID 65489076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).