N-(3,5-difluorophenyl)-6-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methylamino]pyridine-3-sulfonamide

C18H14F2N6O2S2 — CID 133355290

IUPACN-(3,5-difluorophenyl)-6-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methylamino]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1cc(F)cc(F)c1)c1ccc(NCc2nc(-c3cccs3)n[nH]2)nc1
InChIInChI=1S/C18H14F2N6O2S2/c19-11-6-12(20)8-13(7-11)26-30(27,28)14-3-4-16(21-9-14)22-10-17-23-18(25-24-17)15-2-1-5-29-15/h1-9,26H,10H2,(H,21,22)(H,23,24,25)
InChIKeyTUNFGWGPHZWLSV-UHFFFAOYSA-N
MW448.48 g/mol
LogP3.62
Rot. Bonds7

About N-(3,5-difluorophenyl)-6-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methylamino]pyridine-3-sulfonamide

N-(3,5-difluorophenyl)-6-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methylamino]pyridine-3-sulfonamide (PubChem CID 133355290) has the molecular formula C18H14F2N6O2S2 and a molecular weight of 448.48 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-6-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methylamino]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-6-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methylamino]pyridine-3-sulfonamide
PubChem CID133355290
Molecular FormulaC18H14F2N6O2S2
Molecular Weight448.48 g/mol
Exact Mass448.06
IUPAC NameN-(3,5-difluorophenyl)-6-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methylamino]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1cc(F)cc(F)c1)c1ccc(NCc2nc(-c3cccs3)n[nH]2)nc1
InChIInChI=1S/C18H14F2N6O2S2/c19-11-6-12(20)8-13(7-11)26-30(27,28)14-3-4-16(21-9-14)22-10-17-23-18(25-24-17)15-2-1-5-29-15/h1-9,26H,10H2,(H,21,22)(H,23,24,25)
InChIKeyTUNFGWGPHZWLSV-UHFFFAOYSA-N
XLogP3.62
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methylamino]pyridine-3-carbonitrile
CID 133293696
N-(3,5-difluorophenyl)-6-(1-thiophen-2-ylethylamino)pyridine-3-sulfonamide
CID 133372819
N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]aniline
CID 62732644
N-(3,5-difluorophenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-sulfonamide
CID 133351839
N-(3,5-difluorophenyl)-6-[(1-methyltriazol-4-yl)methylamino]pyridine-3-sulfonamide
CID 166208303
6-(1,4-diazabicyclo[2.2.2]octan-2-ylmethylamino)-N-(3,5-difluorophenyl)pyridine-3-sulfonamide
CID 133399653
4-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1,3-thiazol-2-amine
CID 133372541
N-[2-[[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]amino]ethyl]acetamide
CID 133352522
N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]propan-2-amine
CID 62732833
N-(3,5-difluorophenyl)-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-sulfonamide
CID 133314068
6-(ethylamino)-N-(4-fluorophenyl)pyridine-3-sulfonamide
CID 62145209
6-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide
CID 133351614

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-6-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methylamino]pyridine-3-sulfonamide?
The IUPAC name of N-(3,5-difluorophenyl)-6-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methylamino]pyridine-3-sulfonamide (CID 133355290) is N-(3,5-difluorophenyl)-6-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methylamino]pyridine-3-sulfonamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-6-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methylamino]pyridine-3-sulfonamide?
The canonical SMILES for N-(3,5-difluorophenyl)-6-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methylamino]pyridine-3-sulfonamide is O=S(=O)(Nc1cc(F)cc(F)c1)c1ccc(NCc2nc(-c3cccs3)n[nH]2)nc1.
What is the InChIKey of N-(3,5-difluorophenyl)-6-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methylamino]pyridine-3-sulfonamide?
The InChIKey is TUNFGWGPHZWLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N6O2S2/c19-11-6-12(20)8-13(7-11)26-30(27,28)14-3-4-16(21-9-14)22-10-17-23-18(25-24-17)15-2-1-5-29-15/h1-9,26H,10H2,(H,21,22)(H,23,24,25).
What are the key properties of N-(3,5-difluorophenyl)-6-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methylamino]pyridine-3-sulfonamide?
N-(3,5-difluorophenyl)-6-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methylamino]pyridine-3-sulfonamide has a molecular weight of 448.48 g/mol, XLogP of 3.62, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-6-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methylamino]pyridine-3-sulfonamide is sourced from PubChem (CID 133355290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).