N-(3,5-difluorophenyl)-6-(1-thiophen-2-ylethylamino)pyridine-3-sulfonamide

C17H15F2N3O2S2 — CID 133372819

IUPACN-(3,5-difluorophenyl)-6-(1-thiophen-2-ylethylamino)pyridine-3-sulfonamide
SMILESCC(Nc1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)cn1)c1cccs1
InChIInChI=1S/C17H15F2N3O2S2/c1-11(16-3-2-6-25-16)21-17-5-4-15(10-20-17)26(23,24)22-14-8-12(18)7-13(19)9-14/h2-11,22H,1H3,(H,20,21)
InChIKeyQFWXJUYYDTUJNU-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.40
Rot. Bonds6

About N-(3,5-difluorophenyl)-6-(1-thiophen-2-ylethylamino)pyridine-3-sulfonamide

N-(3,5-difluorophenyl)-6-(1-thiophen-2-ylethylamino)pyridine-3-sulfonamide (PubChem CID 133372819) has the molecular formula C17H15F2N3O2S2 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-6-(1-thiophen-2-ylethylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-6-(1-thiophen-2-ylethylamino)pyridine-3-sulfonamide
PubChem CID133372819
Molecular FormulaC17H15F2N3O2S2
Molecular Weight395.46 g/mol
Exact Mass395.06
IUPAC NameN-(3,5-difluorophenyl)-6-(1-thiophen-2-ylethylamino)pyridine-3-sulfonamide
SMILESCC(Nc1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)cn1)c1cccs1
InChIInChI=1S/C17H15F2N3O2S2/c1-11(16-3-2-6-25-16)21-17-5-4-15(10-20-17)26(23,24)22-14-8-12(18)7-13(19)9-14/h2-11,22H,1H3,(H,20,21)
InChIKeyQFWXJUYYDTUJNU-UHFFFAOYSA-N
XLogP4.40
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-difluorophenyl)-6-[1-(furan-2-yl)ethylamino]pyridine-3-sulfonamide
CID 133358492
N-tert-butyl-2-[[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]amino]propanamide
CID 133351813
N-(3,5-difluorophenyl)-6-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methylamino]pyridine-3-sulfonamide
CID 133355290
N-(3,5-difluorophenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-sulfonamide
CID 133351839
N-(3-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 62142755
N-[2-[[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]amino]ethyl]acetamide
CID 133352522
6-amino-N-(1-thiophen-2-ylethyl)pyridine-3-sulfonamide
CID 62148005
N-(3,5-difluorophenyl)-6-[(1-methyltriazol-4-yl)methylamino]pyridine-3-sulfonamide
CID 166208303
N-(3,4-difluorophenyl)-6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-3-sulfonamide
CID 133355206
6-(1,4-diazabicyclo[2.2.2]octan-2-ylmethylamino)-N-(3,5-difluorophenyl)pyridine-3-sulfonamide
CID 133399653
N-(3,5-difluorophenyl)-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-sulfonamide
CID 133314068
2-chloro-N-(3,5-difluorophenyl)pyrimidine-5-sulfonamide
CID 43456351

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-6-(1-thiophen-2-ylethylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(3,5-difluorophenyl)-6-(1-thiophen-2-ylethylamino)pyridine-3-sulfonamide (CID 133372819) is N-(3,5-difluorophenyl)-6-(1-thiophen-2-ylethylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-6-(1-thiophen-2-ylethylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(3,5-difluorophenyl)-6-(1-thiophen-2-ylethylamino)pyridine-3-sulfonamide is CC(Nc1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)cn1)c1cccs1.
What is the InChIKey of N-(3,5-difluorophenyl)-6-(1-thiophen-2-ylethylamino)pyridine-3-sulfonamide?
The InChIKey is QFWXJUYYDTUJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O2S2/c1-11(16-3-2-6-25-16)21-17-5-4-15(10-20-17)26(23,24)22-14-8-12(18)7-13(19)9-14/h2-11,22H,1H3,(H,20,21).
What are the key properties of N-(3,5-difluorophenyl)-6-(1-thiophen-2-ylethylamino)pyridine-3-sulfonamide?
N-(3,5-difluorophenyl)-6-(1-thiophen-2-ylethylamino)pyridine-3-sulfonamide has a molecular weight of 395.46 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-6-(1-thiophen-2-ylethylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 133372819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).