N-(5-fluoro-3-pyridinyl)-3-methylbenzenesulfonamide

C12H11FN2O2S — CID 110872378

IUPACN-(5-fluoro-3-pyridinyl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2cncc(F)c2)c1
InChIInChI=1S/C12H11FN2O2S/c1-9-3-2-4-12(5-9)18(16,17)15-11-6-10(13)7-14-8-11/h2-8,15H,1H3
InChIKeyKFTBINSNTWTOJF-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.33
Rot. Bonds3

About N-(5-fluoro-3-pyridinyl)-3-methylbenzenesulfonamide

N-(5-fluoro-3-pyridinyl)-3-methylbenzenesulfonamide (PubChem CID 110872378) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(5-fluoro-3-pyridinyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-fluoro-3-pyridinyl)-3-methylbenzenesulfonamide
PubChem CID110872378
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC NameN-(5-fluoro-3-pyridinyl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2cncc(F)c2)c1
InChIInChI=1S/C12H11FN2O2S/c1-9-3-2-4-12(5-9)18(16,17)15-11-6-10(13)7-14-8-11/h2-8,15H,1H3
InChIKeyKFTBINSNTWTOJF-UHFFFAOYSA-N
XLogP2.33
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(5-fluoro-3-pyridinyl)benzenesulfonamide
CID 110872403
N-(5-fluoro-3-pyridinyl)-3-nitrobenzenesulfonamide
CID 110872405
N-(4-chlorophenyl)-3-methylbenzenesulfonamide
CID 805135
N-[4-(2,4-difluoroanilino)phenyl]-3-methylbenzenesulfonamide
CID 112989459
3-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide
CID 112986000
4-[(3-methylphenyl)sulfonylamino]benzenesulfonic acid
CID 21052319
N-(2-amino-5-fluorophenyl)-3-methylbenzenesulfonamide
CID 63258167
N-(2-ethoxypyrimidin-5-yl)-3-methylbenzenesulfonamide
CID 122301871
3-methyl-N-(4-pyridin-4-yloxyphenyl)benzenesulfonamide
CID 47088040
N-[4-(1H-imidazol-5-yl)phenyl]-3-methylbenzenesulfonamide
CID 84512955
N-(3-methylphenyl)-3-[3-[(3-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 3091379
N-(6-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 113253371

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-3-pyridinyl)-3-methylbenzenesulfonamide?
The IUPAC name of N-(5-fluoro-3-pyridinyl)-3-methylbenzenesulfonamide (CID 110872378) is N-(5-fluoro-3-pyridinyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-fluoro-3-pyridinyl)-3-methylbenzenesulfonamide?
The canonical SMILES for N-(5-fluoro-3-pyridinyl)-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2cncc(F)c2)c1.
What is the InChIKey of N-(5-fluoro-3-pyridinyl)-3-methylbenzenesulfonamide?
The InChIKey is KFTBINSNTWTOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c1-9-3-2-4-12(5-9)18(16,17)15-11-6-10(13)7-14-8-11/h2-8,15H,1H3.
What are the key properties of N-(5-fluoro-3-pyridinyl)-3-methylbenzenesulfonamide?
N-(5-fluoro-3-pyridinyl)-3-methylbenzenesulfonamide has a molecular weight of 266.30 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-3-pyridinyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 110872378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).