N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]naphthalene-1-sulfonamide

C19H17N5O2S — CID 122162763

IUPACN-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]naphthalene-1-sulfonamide
SMILESCn1cc(-c2nccnc2CNS(=O)(=O)c2cccc3ccccc23)cn1
InChIInChI=1S/C19H17N5O2S/c1-24-13-15(11-22-24)19-17(20-9-10-21-19)12-23-27(25,26)18-8-4-6-14-5-2-3-7-16(14)18/h2-11,13,23H,12H2,1H3
InChIKeyPFPXMGRFSVXIFY-UHFFFAOYSA-N
MW379.45 g/mol
LogP2.51
Rot. Bonds5

About N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]naphthalene-1-sulfonamide

N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]naphthalene-1-sulfonamide (PubChem CID 122162763) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]naphthalene-1-sulfonamide
PubChem CID122162763
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC NameN-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]naphthalene-1-sulfonamide
SMILESCn1cc(-c2nccnc2CNS(=O)(=O)c2cccc3ccccc23)cn1
InChIInChI=1S/C19H17N5O2S/c1-24-13-15(11-22-24)19-17(20-9-10-21-19)12-23-27(25,26)18-8-4-6-14-5-2-3-7-16(14)18/h2-11,13,23H,12H2,1H3
InChIKeyPFPXMGRFSVXIFY-UHFFFAOYSA-N
XLogP2.51
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]naphthalene-1-sulfonamide (CID 122162763) is N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]naphthalene-1-sulfonamide is Cn1cc(-c2nccnc2CNS(=O)(=O)c2cccc3ccccc23)cn1.
What is the InChIKey of N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]naphthalene-1-sulfonamide?
The InChIKey is PFPXMGRFSVXIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S/c1-24-13-15(11-22-24)19-17(20-9-10-21-19)12-23-27(25,26)18-8-4-6-14-5-2-3-7-16(14)18/h2-11,13,23H,12H2,1H3.
What are the key properties of N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]naphthalene-1-sulfonamide?
N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]naphthalene-1-sulfonamide has a molecular weight of 379.45 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 122162763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).