N-[5-(3-fluoroanilino)-2-pyridinyl]-5-methylthiophene-2-sulfonamide

C16H14FN3O2S2 — CID 113035942

IUPACN-[5-(3-fluoroanilino)-2-pyridinyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Nc3cccc(F)c3)cn2)s1
InChIInChI=1S/C16H14FN3O2S2/c1-11-5-8-16(23-11)24(21,22)20-15-7-6-14(10-18-15)19-13-4-2-3-12(17)9-13/h2-10,19H,1H3,(H,18,20)
InChIKeyVOCCQAFUMPAEGF-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.14
Rot. Bonds5

About N-[5-(3-fluoroanilino)-2-pyridinyl]-5-methylthiophene-2-sulfonamide

N-[5-(3-fluoroanilino)-2-pyridinyl]-5-methylthiophene-2-sulfonamide (PubChem CID 113035942) has the molecular formula C16H14FN3O2S2 and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[5-(3-fluoroanilino)-2-pyridinyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[5-(3-fluoroanilino)-2-pyridinyl]-5-methylthiophene-2-sulfonamide
PubChem CID113035942
Molecular FormulaC16H14FN3O2S2
Molecular Weight363.44 g/mol
Exact Mass363.05
IUPAC NameN-[5-(3-fluoroanilino)-2-pyridinyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Nc3cccc(F)c3)cn2)s1
InChIInChI=1S/C16H14FN3O2S2/c1-11-5-8-16(23-11)24(21,22)20-15-7-6-14(10-18-15)19-13-4-2-3-12(17)9-13/h2-10,19H,1H3,(H,18,20)
InChIKeyVOCCQAFUMPAEGF-UHFFFAOYSA-N
XLogP4.14
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2,5-dimethylanilino)-2-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113032078
N-[5-(3-fluoroanilino)-2-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113035950
5-methyl-N-[5-(pentylamino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113030482
5-chloro-N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113032155
5-methyl-N-[5-(3-methylbutylamino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113030356
5-methyl-N-[6-(3-methylanilino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113045782
N-[6-(3-fluoroanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113021347
N-[6-(3-fluoroanilino)-3-pyridinyl]methanesulfonamide
CID 113021324
N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113032152
5-methyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113027958
N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113018737
N-[5-(3-methoxyanilino)-2-pyridinyl]-2-methylbenzenesulfonamide
CID 113034137

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-fluoroanilino)-2-pyridinyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[5-(3-fluoroanilino)-2-pyridinyl]-5-methylthiophene-2-sulfonamide (CID 113035942) is N-[5-(3-fluoroanilino)-2-pyridinyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[5-(3-fluoroanilino)-2-pyridinyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[5-(3-fluoroanilino)-2-pyridinyl]-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Nc3cccc(F)c3)cn2)s1.
What is the InChIKey of N-[5-(3-fluoroanilino)-2-pyridinyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is VOCCQAFUMPAEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S2/c1-11-5-8-16(23-11)24(21,22)20-15-7-6-14(10-18-15)19-13-4-2-3-12(17)9-13/h2-10,19H,1H3,(H,18,20).
What are the key properties of N-[5-(3-fluoroanilino)-2-pyridinyl]-5-methylthiophene-2-sulfonamide?
N-[5-(3-fluoroanilino)-2-pyridinyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 363.44 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-fluoroanilino)-2-pyridinyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 113035942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).