N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]naphthalene-1-sulfonamide

C24H25N3O2S — CID 118512815

IUPACN-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]naphthalene-1-sulfonamide
SMILESCC(C)Cc1cc(CNS(=O)(=O)c2cccc3ccccc23)nn1-c1ccccc1
InChIInChI=1S/C24H25N3O2S/c1-18(2)15-22-16-20(26-27(22)21-11-4-3-5-12-21)17-25-30(28,29)24-14-8-10-19-9-6-7-13-23(19)24/h3-14,16,18,25H,15,17H2,1-2H3
InChIKeyCUMANKPPZGPLPE-UHFFFAOYSA-N
MW419.55 g/mol
LogP4.70
Rot. Bonds7

About N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]naphthalene-1-sulfonamide

N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]naphthalene-1-sulfonamide (PubChem CID 118512815) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]naphthalene-1-sulfonamide
PubChem CID118512815
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC NameN-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]naphthalene-1-sulfonamide
SMILESCC(C)Cc1cc(CNS(=O)(=O)c2cccc3ccccc23)nn1-c1ccccc1
InChIInChI=1S/C24H25N3O2S/c1-18(2)15-22-16-20(26-27(22)21-11-4-3-5-12-21)17-25-30(28,29)24-14-8-10-19-9-6-7-13-23(19)24/h3-14,16,18,25H,15,17H2,1-2H3
InChIKeyCUMANKPPZGPLPE-UHFFFAOYSA-N
XLogP4.70
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]naphthalene-1-sulfonamide (CID 118512815) is N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]naphthalene-1-sulfonamide is CC(C)Cc1cc(CNS(=O)(=O)c2cccc3ccccc23)nn1-c1ccccc1.
What is the InChIKey of N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]naphthalene-1-sulfonamide?
The InChIKey is CUMANKPPZGPLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S/c1-18(2)15-22-16-20(26-27(22)21-11-4-3-5-12-21)17-25-30(28,29)24-14-8-10-19-9-6-7-13-23(19)24/h3-14,16,18,25H,15,17H2,1-2H3.
What are the key properties of N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]naphthalene-1-sulfonamide?
N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]naphthalene-1-sulfonamide has a molecular weight of 419.55 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 118512815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).