N-[6-(3-fluoroanilino)-3-pyridinyl]methanesulfonamide

C12H12FN3O2S — CID 113021324

IUPACN-[6-(3-fluoroanilino)-3-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Nc2cccc(F)c2)nc1
InChIInChI=1S/C12H12FN3O2S/c1-19(17,18)16-11-5-6-12(14-8-11)15-10-4-2-3-9(13)7-10/h2-8,16H,1H3,(H,14,15)
InChIKeyZTTNPUWCHBUZFN-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.34
Rot. Bonds4

About N-[6-(3-fluoroanilino)-3-pyridinyl]methanesulfonamide

N-[6-(3-fluoroanilino)-3-pyridinyl]methanesulfonamide (PubChem CID 113021324) has the molecular formula C12H12FN3O2S and a molecular weight of 281.31 g/mol. Its IUPAC name is N-[6-(3-fluoroanilino)-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(3-fluoroanilino)-3-pyridinyl]methanesulfonamide
PubChem CID113021324
Molecular FormulaC12H12FN3O2S
Molecular Weight281.31 g/mol
Exact Mass281.06
IUPAC NameN-[6-(3-fluoroanilino)-3-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Nc2cccc(F)c2)nc1
InChIInChI=1S/C12H12FN3O2S/c1-19(17,18)16-11-5-6-12(14-8-11)15-10-4-2-3-9(13)7-10/h2-8,16H,1H3,(H,14,15)
InChIKeyZTTNPUWCHBUZFN-UHFFFAOYSA-N
XLogP2.34
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(3-fluoroanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113021347
4-fluoro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016275
N-[5-(3-fluoroanilino)-2-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113035950
N-[5-(3-fluoroanilino)-2-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113035942
2-ethyl-N-[6-(3-fluoroanilino)-3-pyridinyl]butanamide
CID 113021263
N-[6-(3-fluoroanilino)-3-pyridinyl]cyclopropanecarboxamide
CID 113021257
N-[6-[4-(diethylamino)anilino]-3-pyridinyl]methanesulfonamide
CID 113020978
N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016273
N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]propane-1-sulfonamide
CID 113020236
N-[6-(3-acetylanilino)-3-pyridinyl]-3-fluorobenzamide
CID 113020314
N-[6-(3-fluoroanilino)-3-pyridinyl]furan-2-carboxamide
CID 113021264
N-(3-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 62142755

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-fluoroanilino)-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[6-(3-fluoroanilino)-3-pyridinyl]methanesulfonamide (CID 113021324) is N-[6-(3-fluoroanilino)-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[6-(3-fluoroanilino)-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[6-(3-fluoroanilino)-3-pyridinyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(Nc2cccc(F)c2)nc1.
What is the InChIKey of N-[6-(3-fluoroanilino)-3-pyridinyl]methanesulfonamide?
The InChIKey is ZTTNPUWCHBUZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2S/c1-19(17,18)16-11-5-6-12(14-8-11)15-10-4-2-3-9(13)7-10/h2-8,16H,1H3,(H,14,15).
What are the key properties of N-[6-(3-fluoroanilino)-3-pyridinyl]methanesulfonamide?
N-[6-(3-fluoroanilino)-3-pyridinyl]methanesulfonamide has a molecular weight of 281.31 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-fluoroanilino)-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 113021324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).