N-methyl-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzenesulfonamide

C16H16N4O3S — CID 146658394

IUPACN-methyl-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(COc2ccc(-c3ccn[nH]3)nc2)c1
InChIInChI=1S/C16H16N4O3S/c1-17-24(21,22)14-4-2-3-12(9-14)11-23-13-5-6-15(18-10-13)16-7-8-19-20-16/h2-10,17H,11H2,1H3,(H,19,20)
InChIKeyBPCXHIWIPVDHCA-UHFFFAOYSA-N
MW344.40 g/mol
LogP1.96
Rot. Bonds6

About N-methyl-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzenesulfonamide

N-methyl-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzenesulfonamide (PubChem CID 146658394) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is N-methyl-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzenesulfonamide
PubChem CID146658394
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC NameN-methyl-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(COc2ccc(-c3ccn[nH]3)nc2)c1
InChIInChI=1S/C16H16N4O3S/c1-17-24(21,22)14-4-2-3-12(9-14)11-23-13-5-6-15(18-10-13)16-7-8-19-20-16/h2-10,17H,11H2,1H3,(H,19,20)
InChIKeyBPCXHIWIPVDHCA-UHFFFAOYSA-N
XLogP1.96
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzenesulfonamide?
The IUPAC name of N-methyl-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzenesulfonamide (CID 146658394) is N-methyl-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzenesulfonamide?
The canonical SMILES for N-methyl-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzenesulfonamide is CNS(=O)(=O)c1cccc(COc2ccc(-c3ccn[nH]3)nc2)c1.
What is the InChIKey of N-methyl-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzenesulfonamide?
The InChIKey is BPCXHIWIPVDHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-17-24(21,22)14-4-2-3-12(9-14)11-23-13-5-6-15(18-10-13)16-7-8-19-20-16/h2-10,17H,11H2,1H3,(H,19,20).
What are the key properties of N-methyl-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzenesulfonamide?
N-methyl-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzenesulfonamide has a molecular weight of 344.40 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzenesulfonamide is sourced from PubChem (CID 146658394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).