2-fluoro-N-(6-fluoro-2-pyridinyl)-5-methyl-4-(methylamino)benzenesulfonamide

C13H13F2N3O2S — CID 155278636

IUPAC2-fluoro-N-(6-fluoro-2-pyridinyl)-5-methyl-4-(methylamino)benzenesulfonamide
SMILESCNc1cc(F)c(S(=O)(=O)Nc2cccc(F)n2)cc1C
InChIInChI=1S/C13H13F2N3O2S/c1-8-6-11(9(14)7-10(8)16-2)21(19,20)18-13-5-3-4-12(15)17-13/h3-7,16H,1-2H3,(H,17,18)
InChIKeyLVSHONDJZZWIBS-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.51
Rot. Bonds4

About 2-fluoro-N-(6-fluoro-2-pyridinyl)-5-methyl-4-(methylamino)benzenesulfonamide

2-fluoro-N-(6-fluoro-2-pyridinyl)-5-methyl-4-(methylamino)benzenesulfonamide (PubChem CID 155278636) has the molecular formula C13H13F2N3O2S and a molecular weight of 313.33 g/mol. Its IUPAC name is 2-fluoro-N-(6-fluoro-2-pyridinyl)-5-methyl-4-(methylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(6-fluoro-2-pyridinyl)-5-methyl-4-(methylamino)benzenesulfonamide
PubChem CID155278636
Molecular FormulaC13H13F2N3O2S
Molecular Weight313.33 g/mol
Exact Mass313.07
IUPAC Name2-fluoro-N-(6-fluoro-2-pyridinyl)-5-methyl-4-(methylamino)benzenesulfonamide
SMILESCNc1cc(F)c(S(=O)(=O)Nc2cccc(F)n2)cc1C
InChIInChI=1S/C13H13F2N3O2S/c1-8-6-11(9(14)7-10(8)16-2)21(19,20)18-13-5-3-4-12(15)17-13/h3-7,16H,1-2H3,(H,17,18)
InChIKeyLVSHONDJZZWIBS-UHFFFAOYSA-N
XLogP2.51
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(6-fluoro-2-pyridinyl)-2,4-dimethylbenzenesulfonamide
CID 104821515
N-(6-fluoro-2-pyridinyl)-3,4-dimethylbenzenesulfonamide
CID 104821551
4-amino-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 116812616
5-amino-4-bromo-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 116812605
4-tert-butyl-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 104821544
2-amino-4-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 116812633
2-(methylamino)-N-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 55044313
4-chloro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 104821539
N-(6-fluoro-2-pyridinyl)-2-(trifluoromethyl)benzenesulfonamide
CID 104821669
5-amino-2-bromo-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 116812591
5-bromo-N-(6-fluoro-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 104821613
4-[[(2S,3R)-3-amino-2-[(1-aminocyclobutyl)methyl]butyl]amino]-5-chloro-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 146629959

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(6-fluoro-2-pyridinyl)-5-methyl-4-(methylamino)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(6-fluoro-2-pyridinyl)-5-methyl-4-(methylamino)benzenesulfonamide (CID 155278636) is 2-fluoro-N-(6-fluoro-2-pyridinyl)-5-methyl-4-(methylamino)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(6-fluoro-2-pyridinyl)-5-methyl-4-(methylamino)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(6-fluoro-2-pyridinyl)-5-methyl-4-(methylamino)benzenesulfonamide is CNc1cc(F)c(S(=O)(=O)Nc2cccc(F)n2)cc1C.
What is the InChIKey of 2-fluoro-N-(6-fluoro-2-pyridinyl)-5-methyl-4-(methylamino)benzenesulfonamide?
The InChIKey is LVSHONDJZZWIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O2S/c1-8-6-11(9(14)7-10(8)16-2)21(19,20)18-13-5-3-4-12(15)17-13/h3-7,16H,1-2H3,(H,17,18).
What are the key properties of 2-fluoro-N-(6-fluoro-2-pyridinyl)-5-methyl-4-(methylamino)benzenesulfonamide?
2-fluoro-N-(6-fluoro-2-pyridinyl)-5-methyl-4-(methylamino)benzenesulfonamide has a molecular weight of 313.33 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(6-fluoro-2-pyridinyl)-5-methyl-4-(methylamino)benzenesulfonamide is sourced from PubChem (CID 155278636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).