N-[[4-methyl-5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]benzenesulfonamide

C21H25N3O2S — CID 118512798

IUPACN-[[4-methyl-5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]benzenesulfonamide
SMILESCc1c(CNS(=O)(=O)c2ccccc2)nn(-c2ccccc2)c1CC(C)C
InChIInChI=1S/C21H25N3O2S/c1-16(2)14-21-17(3)20(23-24(21)18-10-6-4-7-11-18)15-22-27(25,26)19-12-8-5-9-13-19/h4-13,16,22H,14-15H2,1-3H3
InChIKeyZYYWHOYJTDUWTN-UHFFFAOYSA-N
MW383.52 g/mol
LogP3.86
Rot. Bonds7

About N-[[4-methyl-5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]benzenesulfonamide

N-[[4-methyl-5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]benzenesulfonamide (PubChem CID 118512798) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is N-[[4-methyl-5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[4-methyl-5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]benzenesulfonamide
PubChem CID118512798
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC NameN-[[4-methyl-5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]benzenesulfonamide
SMILESCc1c(CNS(=O)(=O)c2ccccc2)nn(-c2ccccc2)c1CC(C)C
InChIInChI=1S/C21H25N3O2S/c1-16(2)14-21-17(3)20(23-24(21)18-10-6-4-7-11-18)15-22-27(25,26)19-12-8-5-9-13-19/h4-13,16,22H,14-15H2,1-3H3
InChIKeyZYYWHOYJTDUWTN-UHFFFAOYSA-N
XLogP3.86
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]benzenesulfonamide?
The IUPAC name of N-[[4-methyl-5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]benzenesulfonamide (CID 118512798) is N-[[4-methyl-5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[4-methyl-5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[4-methyl-5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]benzenesulfonamide is Cc1c(CNS(=O)(=O)c2ccccc2)nn(-c2ccccc2)c1CC(C)C.
What is the InChIKey of N-[[4-methyl-5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]benzenesulfonamide?
The InChIKey is ZYYWHOYJTDUWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-16(2)14-21-17(3)20(23-24(21)18-10-6-4-7-11-18)15-22-27(25,26)19-12-8-5-9-13-19/h4-13,16,22H,14-15H2,1-3H3.
What are the key properties of N-[[4-methyl-5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]benzenesulfonamide?
N-[[4-methyl-5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]benzenesulfonamide has a molecular weight of 383.52 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 118512798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).