4-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzenesulfonamide

C20H20FN3O2S — CID 113017865

IUPAC4-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzenesulfonamide
SMILESCC(C)c1ccc(Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cn2)cc1
InChIInChI=1S/C20H20FN3O2S/c1-14(2)15-3-7-17(8-4-15)23-20-12-9-18(13-22-20)24-27(25,26)19-10-5-16(21)6-11-19/h3-14,24H,1-2H3,(H,22,23)
InChIKeyBHAWAHDDEBRWNI-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.89
Rot. Bonds6

About 4-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzenesulfonamide

4-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzenesulfonamide (PubChem CID 113017865) has the molecular formula C20H20FN3O2S and a molecular weight of 385.46 g/mol. Its IUPAC name is 4-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzenesulfonamide
PubChem CID113017865
Molecular FormulaC20H20FN3O2S
Molecular Weight385.46 g/mol
Exact Mass385.13
IUPAC Name4-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzenesulfonamide
SMILESCC(C)c1ccc(Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cn2)cc1
InChIInChI=1S/C20H20FN3O2S/c1-14(2)15-3-7-17(8-4-15)23-20-12-9-18(13-22-20)24-27(25,26)19-10-5-16(21)6-11-19/h3-14,24H,1-2H3,(H,22,23)
InChIKeyBHAWAHDDEBRWNI-UHFFFAOYSA-N
XLogP4.89
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(4-cyanoanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113022925
N-[6-(2-methylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113016162
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113017322
N-[5-(4-propan-2-ylanilino)-2-pyridinyl]benzenesulfonamide
CID 113032795
4-fluoro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016275
6-(4-fluoroanilino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide
CID 5267884
N-[6-(2-methoxyethylamino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113010403
N-[6-(4-chloroanilino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113018657
4-propan-2-yl-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzenesulfonamide
CID 113012969
4-propan-2-yl-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 25499352
4-fluoro-N-[6-(4-fluoroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113047314
4-chloro-N-[6-(2,6-difluoroanilino)-3-pyridinyl]benzenesulfonamide
CID 113023175

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzenesulfonamide (CID 113017865) is 4-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzenesulfonamide is CC(C)c1ccc(Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cn2)cc1.
What is the InChIKey of 4-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzenesulfonamide?
The InChIKey is BHAWAHDDEBRWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2S/c1-14(2)15-3-7-17(8-4-15)23-20-12-9-18(13-22-20)24-27(25,26)19-10-5-16(21)6-11-19/h3-14,24H,1-2H3,(H,22,23).
What are the key properties of 4-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzenesulfonamide?
4-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzenesulfonamide has a molecular weight of 385.46 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113017865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).