N-(3,4-difluorophenyl)-6-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridine-3-sulfonamide

C18H18F2N6O2S — CID 133355188

IUPACN-(3,4-difluorophenyl)-6-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(N2CCCC(n3cncn3)C2)nc1
InChIInChI=1S/C18H18F2N6O2S/c19-16-5-3-13(8-17(16)20)24-29(27,28)15-4-6-18(22-9-15)25-7-1-2-14(10-25)26-12-21-11-23-26/h3-6,8-9,11-12,14,24H,1-2,7,10H2
InChIKeyHFNSGWAUKUDVNS-UHFFFAOYSA-N
MW420.45 g/mol
LogP2.59
Rot. Bonds5

About N-(3,4-difluorophenyl)-6-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridine-3-sulfonamide

N-(3,4-difluorophenyl)-6-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridine-3-sulfonamide (PubChem CID 133355188) has the molecular formula C18H18F2N6O2S and a molecular weight of 420.45 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-6-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridine-3-sulfonamide
PubChem CID133355188
Molecular FormulaC18H18F2N6O2S
Molecular Weight420.45 g/mol
Exact Mass420.12
IUPAC NameN-(3,4-difluorophenyl)-6-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(N2CCCC(n3cncn3)C2)nc1
InChIInChI=1S/C18H18F2N6O2S/c19-16-5-3-13(8-17(16)20)24-29(27,28)15-4-6-18(22-9-15)25-7-1-2-14(10-25)26-12-21-11-23-26/h3-6,8-9,11-12,14,24H,1-2,7,10H2
InChIKeyHFNSGWAUKUDVNS-UHFFFAOYSA-N
XLogP2.59
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-6-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridine-3-sulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-6-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridine-3-sulfonamide (CID 133355188) is N-(3,4-difluorophenyl)-6-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-6-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-6-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridine-3-sulfonamide is O=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(N2CCCC(n3cncn3)C2)nc1.
What is the InChIKey of N-(3,4-difluorophenyl)-6-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridine-3-sulfonamide?
The InChIKey is HFNSGWAUKUDVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N6O2S/c19-16-5-3-13(8-17(16)20)24-29(27,28)15-4-6-18(22-9-15)25-7-1-2-14(10-25)26-12-21-11-23-26/h3-6,8-9,11-12,14,24H,1-2,7,10H2.
What are the key properties of N-(3,4-difluorophenyl)-6-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridine-3-sulfonamide?
N-(3,4-difluorophenyl)-6-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridine-3-sulfonamide has a molecular weight of 420.45 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-6-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 133355188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).