2-amino-5-fluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide

C12H12FN3O3S — CID 60985991

IUPAC2-amino-5-fluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(F)ccc2N)cn1
InChIInChI=1S/C12H12FN3O3S/c1-19-12-5-3-9(7-15-12)16-20(17,18)11-6-8(13)2-4-10(11)14/h2-7,16H,14H2,1H3
InChIKeyCOLMKOVADCIJLH-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.61
Rot. Bonds4

About 2-amino-5-fluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide

2-amino-5-fluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide (PubChem CID 60985991) has the molecular formula C12H12FN3O3S and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
PubChem CID60985991
Molecular FormulaC12H12FN3O3S
Molecular Weight297.31 g/mol
Exact Mass297.06
IUPAC Name2-amino-5-fluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(F)ccc2N)cn1
InChIInChI=1S/C12H12FN3O3S/c1-19-12-5-3-9(7-15-12)16-20(17,18)11-6-8(13)2-4-10(11)14/h2-7,16H,14H2,1H3
InChIKeyCOLMKOVADCIJLH-UHFFFAOYSA-N
XLogP1.61
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.61
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

2-amino-5-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide
CID 62990585
2-amino-4-bromo-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 43257274
2-amino-5-fluoro-N-(4-iodophenyl)benzenesulfonamide
CID 54888611
2-amino-5-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62811281
2-methoxy-5-(sulfamoylamino)pyridine
CID 112573201
6-amino-N-(6-methoxy-3-pyridinyl)pyridine-3-sulfonamide
CID 62149708
5-bromo-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 3866014
5-chloro-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 3476038
N-(6-methoxy-3-pyridinyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62150607
N-(4-amino-3-methoxyphenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 43604990
2-hydrazinyl-N-(6-methoxy-3-pyridinyl)pyridine-4-sulfonamide
CID 61004702
2-amino-5-fluoro-N-thiophen-3-ylbenzenesulfonamide
CID 66351438

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 2-amino-5-fluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide (CID 60985991) is 2-amino-5-fluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-fluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-fluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2cc(F)ccc2N)cn1.
What is the InChIKey of 2-amino-5-fluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide?
The InChIKey is COLMKOVADCIJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O3S/c1-19-12-5-3-9(7-15-12)16-20(17,18)11-6-8(13)2-4-10(11)14/h2-7,16H,14H2,1H3.
What are the key properties of 2-amino-5-fluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide?
2-amino-5-fluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide has a molecular weight of 297.31 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 60985991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).