N-[2-(3-fluorophenyl)-2-methoxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide

C15H20FN3O3S — CID 73168452

IUPACN-[2-(3-fluorophenyl)-2-methoxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCOC(CNS(=O)(=O)c1c(C)nn(C)c1C)c1cccc(F)c1
InChIInChI=1S/C15H20FN3O3S/c1-10-15(11(2)19(3)18-10)23(20,21)17-9-14(22-4)12-6-5-7-13(16)8-12/h5-8,14,17H,9H2,1-4H3
InChIKeyXKBGXHCTONSVHM-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.84
Rot. Bonds6

About N-[2-(3-fluorophenyl)-2-methoxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide

N-[2-(3-fluorophenyl)-2-methoxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 73168452) has the molecular formula C15H20FN3O3S and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-2-methoxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-2-methoxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID73168452
Molecular FormulaC15H20FN3O3S
Molecular Weight341.41 g/mol
Exact Mass341.12
IUPAC NameN-[2-(3-fluorophenyl)-2-methoxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCOC(CNS(=O)(=O)c1c(C)nn(C)c1C)c1cccc(F)c1
InChIInChI=1S/C15H20FN3O3S/c1-10-15(11(2)19(3)18-10)23(20,21)17-9-14(22-4)12-6-5-7-13(16)8-12/h5-8,14,17H,9H2,1-4H3
InChIKeyXKBGXHCTONSVHM-UHFFFAOYSA-N
XLogP1.84
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-2-methoxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-(3-fluorophenyl)-2-methoxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide (CID 73168452) is N-[2-(3-fluorophenyl)-2-methoxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)-2-methoxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(3-fluorophenyl)-2-methoxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide is COC(CNS(=O)(=O)c1c(C)nn(C)c1C)c1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)-2-methoxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is XKBGXHCTONSVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O3S/c1-10-15(11(2)19(3)18-10)23(20,21)17-9-14(22-4)12-6-5-7-13(16)8-12/h5-8,14,17H,9H2,1-4H3.
What are the key properties of N-[2-(3-fluorophenyl)-2-methoxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
N-[2-(3-fluorophenyl)-2-methoxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 341.41 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-2-methoxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 73168452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).