N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,3,5-trimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide

C18H26FN3O3S — CID 75400473

IUPACN-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,3,5-trimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(CC(C)C)CC(O)c1ccc(F)cc1
InChIInChI=1S/C18H26FN3O3S/c1-12(2)10-22(11-17(23)15-6-8-16(19)9-7-15)26(24,25)18-13(3)20-21(5)14(18)4/h6-9,12,17,23H,10-11H2,1-5H3
InChIKeyGMENMSJSLZGFEN-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.56
Rot. Bonds7

About N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,3,5-trimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide

N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,3,5-trimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide (PubChem CID 75400473) has the molecular formula C18H26FN3O3S and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,3,5-trimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,3,5-trimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
PubChem CID75400473
Molecular FormulaC18H26FN3O3S
Molecular Weight383.49 g/mol
Exact Mass383.17
IUPAC NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,3,5-trimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(CC(C)C)CC(O)c1ccc(F)cc1
InChIInChI=1S/C18H26FN3O3S/c1-12(2)10-22(11-17(23)15-6-8-16(19)9-7-15)26(24,25)18-13(3)20-21(5)14(18)4/h6-9,12,17,23H,10-11H2,1-5H3
InChIKeyGMENMSJSLZGFEN-UHFFFAOYSA-N
XLogP2.56
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,3,5-trimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,3,5-trimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide (CID 75400473) is N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,3,5-trimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,3,5-trimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,3,5-trimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)N(CC(C)C)CC(O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,3,5-trimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide?
The InChIKey is GMENMSJSLZGFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O3S/c1-12(2)10-22(11-17(23)15-6-8-16(19)9-7-15)26(24,25)18-13(3)20-21(5)14(18)4/h6-9,12,17,23H,10-11H2,1-5H3.
What are the key properties of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,3,5-trimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide?
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,3,5-trimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide has a molecular weight of 383.49 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,3,5-trimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 75400473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).