3-amino-5-fluoro-4-methoxy-N-methyl-N-pyridin-2-ylbenzenesulfonamide

C13H14FN3O3S — CID 114624981

IUPAC3-amino-5-fluoro-4-methoxy-N-methyl-N-pyridin-2-ylbenzenesulfonamide
SMILESCOc1c(N)cc(S(=O)(=O)N(C)c2ccccn2)cc1F
InChIInChI=1S/C13H14FN3O3S/c1-17(12-5-3-4-6-16-12)21(18,19)9-7-10(14)13(20-2)11(15)8-9/h3-8H,15H2,1-2H3
InChIKeyDDFQZEWHLVWERK-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.64
Rot. Bonds4

About 3-amino-5-fluoro-4-methoxy-N-methyl-N-pyridin-2-ylbenzenesulfonamide

3-amino-5-fluoro-4-methoxy-N-methyl-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 114624981) has the molecular formula C13H14FN3O3S and a molecular weight of 311.34 g/mol. Its IUPAC name is 3-amino-5-fluoro-4-methoxy-N-methyl-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-fluoro-4-methoxy-N-methyl-N-pyridin-2-ylbenzenesulfonamide
PubChem CID114624981
Molecular FormulaC13H14FN3O3S
Molecular Weight311.34 g/mol
Exact Mass311.07
IUPAC Name3-amino-5-fluoro-4-methoxy-N-methyl-N-pyridin-2-ylbenzenesulfonamide
SMILESCOc1c(N)cc(S(=O)(=O)N(C)c2ccccn2)cc1F
InChIInChI=1S/C13H14FN3O3S/c1-17(12-5-3-4-6-16-12)21(18,19)9-7-10(14)13(20-2)11(15)8-9/h3-8H,15H2,1-2H3
InChIKeyDDFQZEWHLVWERK-UHFFFAOYSA-N
XLogP1.64
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-bromo-N-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 115328693
4-methoxy-N-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 47137196
4-methoxy-N,3-dimethyl-N-pyridin-2-ylbenzenesulfonamide
CID 56816994
2,6-difluoro-N-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 4994622
2-amino-N-methyl-N-pyridin-2-ylpyridine-3-sulfonamide
CID 62149256
6-amino-5-chloro-N-methyl-N-pyridin-2-ylpyridine-3-sulfonamide
CID 64606792
3-amino-5-fluoro-4-methoxy-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114626217
4-tert-butyl-N-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 4684252
3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-5-fluoro-4-methoxybenzenesulfonamide
CID 114625777
2-[methyl(sulfamoyl)amino]pyridine
CID 112686069
3-amino-N-cyclopropyl-5-fluoro-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 114625181
4-(aminomethyl)-N,3-dimethyl-N-pyridin-2-ylbenzenesulfonamide
CID 106919095

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-4-methoxy-N-methyl-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 3-amino-5-fluoro-4-methoxy-N-methyl-N-pyridin-2-ylbenzenesulfonamide (CID 114624981) is 3-amino-5-fluoro-4-methoxy-N-methyl-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-amino-5-fluoro-4-methoxy-N-methyl-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 3-amino-5-fluoro-4-methoxy-N-methyl-N-pyridin-2-ylbenzenesulfonamide is COc1c(N)cc(S(=O)(=O)N(C)c2ccccn2)cc1F.
What is the InChIKey of 3-amino-5-fluoro-4-methoxy-N-methyl-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is DDFQZEWHLVWERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O3S/c1-17(12-5-3-4-6-16-12)21(18,19)9-7-10(14)13(20-2)11(15)8-9/h3-8H,15H2,1-2H3.
What are the key properties of 3-amino-5-fluoro-4-methoxy-N-methyl-N-pyridin-2-ylbenzenesulfonamide?
3-amino-5-fluoro-4-methoxy-N-methyl-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 311.34 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-4-methoxy-N-methyl-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 114624981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).