N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1-phenylmethanesulfonamide

C17H18N4O2S — CID 122274689

IUPACN-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1-phenylmethanesulfonamide
SMILESCn1cc(-c2ccc(CNS(=O)(=O)Cc3ccccc3)cn2)cn1
InChIInChI=1S/C17H18N4O2S/c1-21-12-16(11-19-21)17-8-7-15(9-18-17)10-20-24(22,23)13-14-5-3-2-4-6-14/h2-9,11-12,20H,10,13H2,1H3
InChIKeyMZNJUTYSAFKYBZ-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.10
Rot. Bonds6

About N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1-phenylmethanesulfonamide

N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1-phenylmethanesulfonamide (PubChem CID 122274689) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1-phenylmethanesulfonamide
PubChem CID122274689
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1-phenylmethanesulfonamide
SMILESCn1cc(-c2ccc(CNS(=O)(=O)Cc3ccccc3)cn2)cn1
InChIInChI=1S/C17H18N4O2S/c1-21-12-16(11-19-21)17-8-7-15(9-18-17)10-20-24(22,23)13-14-5-3-2-4-6-14/h2-9,11-12,20H,10,13H2,1H3
InChIKeyMZNJUTYSAFKYBZ-UHFFFAOYSA-N
XLogP2.10
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1-phenylmethanesulfonamide (CID 122274689) is N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1-phenylmethanesulfonamide is Cn1cc(-c2ccc(CNS(=O)(=O)Cc3ccccc3)cn2)cn1.
What is the InChIKey of N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1-phenylmethanesulfonamide?
The InChIKey is MZNJUTYSAFKYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-21-12-16(11-19-21)17-8-7-15(9-18-17)10-20-24(22,23)13-14-5-3-2-4-6-14/h2-9,11-12,20H,10,13H2,1H3.
What are the key properties of N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1-phenylmethanesulfonamide?
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1-phenylmethanesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 122274689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).