N-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propane-2-sulfonamide

C18H20N4O3S — CID 142526692

IUPACN-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1cccc(COc2ccc(-c3ccn[nH]3)nc2)c1
InChIInChI=1S/C18H20N4O3S/c1-13(2)26(23,24)22-15-5-3-4-14(10-15)12-25-16-6-7-17(19-11-16)18-8-9-20-21-18/h3-11,13,22H,12H2,1-2H3,(H,20,21)
InChIKeyARAVXHXKHQVKBV-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.20
Rot. Bonds7

About N-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propane-2-sulfonamide

N-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propane-2-sulfonamide (PubChem CID 142526692) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propane-2-sulfonamide
PubChem CID142526692
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC NameN-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1cccc(COc2ccc(-c3ccn[nH]3)nc2)c1
InChIInChI=1S/C18H20N4O3S/c1-13(2)26(23,24)22-15-5-3-4-14(10-15)12-25-16-6-7-17(19-11-16)18-8-9-20-21-18/h3-11,13,22H,12H2,1-2H3,(H,20,21)
InChIKeyARAVXHXKHQVKBV-UHFFFAOYSA-N
XLogP3.20
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propane-2-sulfonamide?
The IUPAC name of N-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propane-2-sulfonamide (CID 142526692) is N-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propane-2-sulfonamide.
What is the SMILES notation for N-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propane-2-sulfonamide?
The canonical SMILES for N-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propane-2-sulfonamide is CC(C)S(=O)(=O)Nc1cccc(COc2ccc(-c3ccn[nH]3)nc2)c1.
What is the InChIKey of N-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propane-2-sulfonamide?
The InChIKey is ARAVXHXKHQVKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-13(2)26(23,24)22-15-5-3-4-14(10-15)12-25-16-6-7-17(19-11-16)18-8-9-20-21-18/h3-11,13,22H,12H2,1-2H3,(H,20,21).
What are the key properties of N-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propane-2-sulfonamide?
N-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propane-2-sulfonamide has a molecular weight of 372.45 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propane-2-sulfonamide is sourced from PubChem (CID 142526692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).