N-[6-(3-fluoroanilino)-3-pyridinyl]thiophene-2-sulfonamide

C15H12FN3O2S2 — CID 113021347

IUPACN-[6-(3-fluoroanilino)-3-pyridinyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Nc2cccc(F)c2)nc1)c1cccs1
InChIInChI=1S/C15H12FN3O2S2/c16-11-3-1-4-12(9-11)18-14-7-6-13(10-17-14)19-23(20,21)15-5-2-8-22-15/h1-10,19H,(H,17,18)
InChIKeyDKLKMCQHPVQHNL-UHFFFAOYSA-N
MW349.41 g/mol
LogP3.83
Rot. Bonds5

About N-[6-(3-fluoroanilino)-3-pyridinyl]thiophene-2-sulfonamide

N-[6-(3-fluoroanilino)-3-pyridinyl]thiophene-2-sulfonamide (PubChem CID 113021347) has the molecular formula C15H12FN3O2S2 and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[6-(3-fluoroanilino)-3-pyridinyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[6-(3-fluoroanilino)-3-pyridinyl]thiophene-2-sulfonamide
PubChem CID113021347
Molecular FormulaC15H12FN3O2S2
Molecular Weight349.41 g/mol
Exact Mass349.04
IUPAC NameN-[6-(3-fluoroanilino)-3-pyridinyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Nc2cccc(F)c2)nc1)c1cccs1
InChIInChI=1S/C15H12FN3O2S2/c16-11-3-1-4-12(9-11)18-14-7-6-13(10-17-14)19-23(20,21)15-5-2-8-22-15/h1-10,19H,(H,17,18)
InChIKeyDKLKMCQHPVQHNL-UHFFFAOYSA-N
XLogP3.83
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(3-methoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113019463
N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113019023
N-[6-(3,5-dimethylanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113017131
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113020133
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113018953
N-[6-(3-fluoroanilino)-3-pyridinyl]methanesulfonamide
CID 113021324
N-[6-(methylamino)-3-pyridinyl]thiophene-2-sulfonamide
CID 115268517
N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113019944
N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113032152
N-[5-(3-fluoroanilino)-2-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113035942
N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113020007
methyl 2-[[5-(thiophen-2-ylsulfonylamino)-2-pyridinyl]amino]benzoate
CID 113020656

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-fluoroanilino)-3-pyridinyl]thiophene-2-sulfonamide?
The IUPAC name of N-[6-(3-fluoroanilino)-3-pyridinyl]thiophene-2-sulfonamide (CID 113021347) is N-[6-(3-fluoroanilino)-3-pyridinyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[6-(3-fluoroanilino)-3-pyridinyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[6-(3-fluoroanilino)-3-pyridinyl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccc(Nc2cccc(F)c2)nc1)c1cccs1.
What is the InChIKey of N-[6-(3-fluoroanilino)-3-pyridinyl]thiophene-2-sulfonamide?
The InChIKey is DKLKMCQHPVQHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2S2/c16-11-3-1-4-12(9-11)18-14-7-6-13(10-17-14)19-23(20,21)15-5-2-8-22-15/h1-10,19H,(H,17,18).
What are the key properties of N-[6-(3-fluoroanilino)-3-pyridinyl]thiophene-2-sulfonamide?
N-[6-(3-fluoroanilino)-3-pyridinyl]thiophene-2-sulfonamide has a molecular weight of 349.41 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-fluoroanilino)-3-pyridinyl]thiophene-2-sulfonamide is sourced from PubChem (CID 113021347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).