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

C19H19F2N5O2S — CID 133448325

IUPACN-(3,4-difluorophenyl)-6-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(N2CCCC(c3ncc[nH]3)C2)nc1
InChIInChI=1S/C19H19F2N5O2S/c20-16-5-3-14(10-17(16)21)25-29(27,28)15-4-6-18(24-11-15)26-9-1-2-13(12-26)19-22-7-8-23-19/h3-8,10-11,13,25H,1-2,9,12H2,(H,22,23)
InChIKeyZJKMIGLXHAEFAJ-UHFFFAOYSA-N
MW419.46 g/mol
LogP3.27
Rot. Bonds5

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

N-(3,4-difluorophenyl)-6-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyridine-3-sulfonamide (PubChem CID 133448325) has the molecular formula C19H19F2N5O2S and a molecular weight of 419.46 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-6-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyridine-3-sulfonamide
PubChem CID133448325
Molecular FormulaC19H19F2N5O2S
Molecular Weight419.46 g/mol
Exact Mass419.12
IUPAC NameN-(3,4-difluorophenyl)-6-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(N2CCCC(c3ncc[nH]3)C2)nc1
InChIInChI=1S/C19H19F2N5O2S/c20-16-5-3-14(10-17(16)21)25-29(27,28)15-4-6-18(24-11-15)26-9-1-2-13(12-26)19-22-7-8-23-19/h3-8,10-11,13,25H,1-2,9,12H2,(H,22,23)
InChIKeyZJKMIGLXHAEFAJ-UHFFFAOYSA-N
XLogP3.27
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-6-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyridine-3-sulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-6-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyridine-3-sulfonamide (CID 133448325) is N-(3,4-difluorophenyl)-6-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-6-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-6-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyridine-3-sulfonamide is O=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(N2CCCC(c3ncc[nH]3)C2)nc1.
What is the InChIKey of N-(3,4-difluorophenyl)-6-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyridine-3-sulfonamide?
The InChIKey is ZJKMIGLXHAEFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O2S/c20-16-5-3-14(10-17(16)21)25-29(27,28)15-4-6-18(24-11-15)26-9-1-2-13(12-26)19-22-7-8-23-19/h3-8,10-11,13,25H,1-2,9,12H2,(H,22,23).
What are the key properties of N-(3,4-difluorophenyl)-6-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyridine-3-sulfonamide?
N-(3,4-difluorophenyl)-6-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyridine-3-sulfonamide has a molecular weight of 419.46 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-6-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 133448325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).