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

C24H31N3O2S — CID 118512807

IUPAC4-tert-butyl-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]benzenesulfonamide
SMILESCC(C)Cc1cc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)nn1-c1ccccc1
InChIInChI=1S/C24H31N3O2S/c1-18(2)15-22-16-20(26-27(22)21-9-7-6-8-10-21)17-25-30(28,29)23-13-11-19(12-14-23)24(3,4)5/h6-14,16,18,25H,15,17H2,1-5H3
InChIKeyPVAKXRRYFMYCDE-UHFFFAOYSA-N
MW425.60 g/mol
LogP4.85
Rot. Bonds7

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

4-tert-butyl-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]benzenesulfonamide (PubChem CID 118512807) has the molecular formula C24H31N3O2S and a molecular weight of 425.60 g/mol. Its IUPAC name is 4-tert-butyl-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]benzenesulfonamide
PubChem CID118512807
Molecular FormulaC24H31N3O2S
Molecular Weight425.60 g/mol
Exact Mass425.21
IUPAC Name4-tert-butyl-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]benzenesulfonamide
SMILESCC(C)Cc1cc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)nn1-c1ccccc1
InChIInChI=1S/C24H31N3O2S/c1-18(2)15-22-16-20(26-27(22)21-9-7-6-8-10-21)17-25-30(28,29)23-13-11-19(12-14-23)24(3,4)5/h6-14,16,18,25H,15,17H2,1-5H3
InChIKeyPVAKXRRYFMYCDE-UHFFFAOYSA-N
XLogP4.85
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.60
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]benzenesulfonamide (CID 118512807) is 4-tert-butyl-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]benzenesulfonamide is CC(C)Cc1cc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)nn1-c1ccccc1.
What is the InChIKey of 4-tert-butyl-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]benzenesulfonamide?
The InChIKey is PVAKXRRYFMYCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2S/c1-18(2)15-22-16-20(26-27(22)21-9-7-6-8-10-21)17-25-30(28,29)23-13-11-19(12-14-23)24(3,4)5/h6-14,16,18,25H,15,17H2,1-5H3.
What are the key properties of 4-tert-butyl-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]benzenesulfonamide?
4-tert-butyl-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]benzenesulfonamide has a molecular weight of 425.60 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 118512807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).