4-(3-fluoroanilino)pyridine-3-sulfonamide

C11H10FN3O2S — CID 819347

IUPAC4-(3-fluoroanilino)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnccc1Nc1cccc(F)c1
InChIInChI=1S/C11H10FN3O2S/c12-8-2-1-3-9(6-8)15-10-4-5-14-7-11(10)18(13,16)17/h1-7H,(H,14,15)(H2,13,16,17)
InChIKeyOEJKXAGGOHUGJM-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.61
Rot. Bonds3

About 4-(3-fluoroanilino)pyridine-3-sulfonamide

4-(3-fluoroanilino)pyridine-3-sulfonamide (PubChem CID 819347) has the molecular formula C11H10FN3O2S and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-(3-fluoroanilino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-(3-fluoroanilino)pyridine-3-sulfonamide
PubChem CID819347
Molecular FormulaC11H10FN3O2S
Molecular Weight267.29 g/mol
Exact Mass267.05
IUPAC Name4-(3-fluoroanilino)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnccc1Nc1cccc(F)c1
InChIInChI=1S/C11H10FN3O2S/c12-8-2-1-3-9(6-8)15-10-4-5-14-7-11(10)18(13,16)17/h1-7H,(H,14,15)(H2,13,16,17)
InChIKeyOEJKXAGGOHUGJM-UHFFFAOYSA-N
XLogP1.61
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Sulfapyridine
CID 5336
N-(pyridin-4-yl)benzenesulfonamide
CID 669138
4-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 676049
4-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 3663787
N-3-Pyridylbenzenesulfonamide
CID 339079
BM-960102
CID 819349
4-Hydrazinylpyridine-3-sulfonamide
CID 12554666
4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 688002
4-(4-Chloroanilino)-3-pyridinesulfonamide
CID 902007
Pyridine-3-sulfonamide
CID 232710
6-chloro-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 2433221
N-phenylpyridin-4-amine
CID 89945

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoroanilino)pyridine-3-sulfonamide?
The IUPAC name of 4-(3-fluoroanilino)pyridine-3-sulfonamide (CID 819347) is 4-(3-fluoroanilino)pyridine-3-sulfonamide.
What is the SMILES notation for 4-(3-fluoroanilino)pyridine-3-sulfonamide?
The canonical SMILES for 4-(3-fluoroanilino)pyridine-3-sulfonamide is NS(=O)(=O)c1cnccc1Nc1cccc(F)c1.
What is the InChIKey of 4-(3-fluoroanilino)pyridine-3-sulfonamide?
The InChIKey is OEJKXAGGOHUGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2S/c12-8-2-1-3-9(6-8)15-10-4-5-14-7-11(10)18(13,16)17/h1-7H,(H,14,15)(H2,13,16,17).
What are the key properties of 4-(3-fluoroanilino)pyridine-3-sulfonamide?
4-(3-fluoroanilino)pyridine-3-sulfonamide has a molecular weight of 267.29 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoroanilino)pyridine-3-sulfonamide is sourced from PubChem (CID 819347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).