2-amino-N-(5-fluoro-2-pyridinyl)-3,6-dimethylbenzenesulfonamide

C13H14FN3O2S — CID 103171591

IUPAC2-amino-N-(5-fluoro-2-pyridinyl)-3,6-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(F)cn2)c1N
InChIInChI=1S/C13H14FN3O2S/c1-8-3-4-9(2)13(12(8)15)20(18,19)17-11-6-5-10(14)7-16-11/h3-7H,15H2,1-2H3,(H,16,17)
InChIKeySRAKFTCXFGODML-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.22
Rot. Bonds3

About 2-amino-N-(5-fluoro-2-pyridinyl)-3,6-dimethylbenzenesulfonamide

2-amino-N-(5-fluoro-2-pyridinyl)-3,6-dimethylbenzenesulfonamide (PubChem CID 103171591) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-amino-N-(5-fluoro-2-pyridinyl)-3,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(5-fluoro-2-pyridinyl)-3,6-dimethylbenzenesulfonamide
PubChem CID103171591
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC Name2-amino-N-(5-fluoro-2-pyridinyl)-3,6-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(F)cn2)c1N
InChIInChI=1S/C13H14FN3O2S/c1-8-3-4-9(2)13(12(8)15)20(18,19)17-11-6-5-10(14)7-16-11/h3-7H,15H2,1-2H3,(H,16,17)
InChIKeySRAKFTCXFGODML-UHFFFAOYSA-N
XLogP2.22
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-fluoro-N-(5-fluoro-2-pyridinyl)-5-methylbenzenesulfonamide
CID 115421691
5-amino-N-(5-fluoro-2-pyridinyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79959391
5-amino-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 65481643
3-amino-N-(5-fluoro-2-pyridinyl)pyridine-2-sulfonamide
CID 103306339
2-amino-6-methyl-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 43452486
4-amino-3-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 82844573
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-3,6-dimethylbenzenesulfonamide
CID 103171723
4-amino-N-(5-fluoro-2-pyridinyl)thiophene-2-sulfonamide
CID 65482445
2-amino-N-(2-fluoro-4-methylphenyl)-3,6-dimethylbenzenesulfonamide
CID 103171069
2-amino-N-(3-fluoro-2-methylphenyl)-3,6-dimethylbenzenesulfonamide
CID 103171388
3-amino-4-bromo-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 115329522
N-(5-amino-4-methyl-2-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide
CID 61293161

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-fluoro-2-pyridinyl)-3,6-dimethylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(5-fluoro-2-pyridinyl)-3,6-dimethylbenzenesulfonamide (CID 103171591) is 2-amino-N-(5-fluoro-2-pyridinyl)-3,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(5-fluoro-2-pyridinyl)-3,6-dimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(5-fluoro-2-pyridinyl)-3,6-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccc(F)cn2)c1N.
What is the InChIKey of 2-amino-N-(5-fluoro-2-pyridinyl)-3,6-dimethylbenzenesulfonamide?
The InChIKey is SRAKFTCXFGODML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c1-8-3-4-9(2)13(12(8)15)20(18,19)17-11-6-5-10(14)7-16-11/h3-7H,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-N-(5-fluoro-2-pyridinyl)-3,6-dimethylbenzenesulfonamide?
2-amino-N-(5-fluoro-2-pyridinyl)-3,6-dimethylbenzenesulfonamide has a molecular weight of 295.34 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-fluoro-2-pyridinyl)-3,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 103171591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).