4-fluoro-N-pyridin-3-ylbenzenesulfonamide

C11H9FN2O2S — CID 676049

IUPAC4-fluoro-N-pyridin-3-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cccnc1)c1ccc(F)cc1
InChIInChI=1S/C11H9FN2O2S/c12-9-3-5-11(6-4-9)17(15,16)14-10-2-1-7-13-8-10/h1-8,14H
InChIKeyHXKWBTXSCLJLDU-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.02
Rot. Bonds3

About 4-fluoro-N-pyridin-3-ylbenzenesulfonamide

4-fluoro-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 676049) has the molecular formula C11H9FN2O2S and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-fluoro-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-pyridin-3-ylbenzenesulfonamide
PubChem CID676049
Molecular FormulaC11H9FN2O2S
Molecular Weight252.27 g/mol
Exact Mass252.04
IUPAC Name4-fluoro-N-pyridin-3-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cccnc1)c1ccc(F)cc1
InChIInChI=1S/C11H9FN2O2S/c12-9-3-5-11(6-4-9)17(15,16)14-10-2-1-7-13-8-10/h1-8,14H
InChIKeyHXKWBTXSCLJLDU-UHFFFAOYSA-N
XLogP2.02
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Sulfapyridine
CID 5336
N-(pyridin-4-yl)benzenesulfonamide
CID 669138
4-Methyl-N-pyridin-3-YL-benzenesulfonamide
CID 757406
5-({[(4-Fluorophenyl)sulfonyl]carbamoyl}amino)pyridine-2-Sulfonamide
CID 74766010
Sulfapyridine Sodium
CID 23667654
4-Methyl-N-pyridin-2-ylmethyl-benzenesulfonamide
CID 731623
5-Aminopyridine-2-sulfonamide
CID 22313850
4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 688002
N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide
CID 2738468
3-Nitro-N-pyridin-2-ylmethyl-benzenesulfonamide
CID 2887049
4-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 3663787
N-3-Pyridylbenzenesulfonamide
CID 339079

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-pyridin-3-ylbenzenesulfonamide (CID 676049) is 4-fluoro-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-pyridin-3-ylbenzenesulfonamide is O=S(=O)(Nc1cccnc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is HXKWBTXSCLJLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2S/c12-9-3-5-11(6-4-9)17(15,16)14-10-2-1-7-13-8-10/h1-8,14H.
What are the key properties of 4-fluoro-N-pyridin-3-ylbenzenesulfonamide?
4-fluoro-N-pyridin-3-ylbenzenesulfonamide has a molecular weight of 252.27 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 676049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).