2-[5-[2-(4-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide

C17H23FN4O4S — CID 127250740

IUPAC2-[5-[2-(4-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCOC(c2cc(CCOc3ccc(F)cc3)[nH]n2)C1
InChIInChI=1S/C17H23FN4O4S/c1-21(2)27(23,24)22-8-10-26-17(12-22)16-11-14(19-20-16)7-9-25-15-5-3-13(18)4-6-15/h3-6,11,17H,7-10,12H2,1-2H3,(H,19,20)
InChIKeyPKDRDJKXTPWTBZ-UHFFFAOYSA-N
MW398.46 g/mol
LogP1.35
Rot. Bonds7

About 2-[5-[2-(4-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide

2-[5-[2-(4-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide (PubChem CID 127250740) has the molecular formula C17H23FN4O4S and a molecular weight of 398.46 g/mol. Its IUPAC name is 2-[5-[2-(4-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide.

Molecular Properties

Compound Name2-[5-[2-(4-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide
PubChem CID127250740
Molecular FormulaC17H23FN4O4S
Molecular Weight398.46 g/mol
Exact Mass398.14
IUPAC Name2-[5-[2-(4-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCOC(c2cc(CCOc3ccc(F)cc3)[nH]n2)C1
InChIInChI=1S/C17H23FN4O4S/c1-21(2)27(23,24)22-8-10-26-17(12-22)16-11-14(19-20-16)7-9-25-15-5-3-13(18)4-6-15/h3-6,11,17H,7-10,12H2,1-2H3,(H,19,20)
InChIKeyPKDRDJKXTPWTBZ-UHFFFAOYSA-N
XLogP1.35
TPSA87.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(4-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide?
The IUPAC name of 2-[5-[2-(4-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide (CID 127250740) is 2-[5-[2-(4-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide.
What is the SMILES notation for 2-[5-[2-(4-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide?
The canonical SMILES for 2-[5-[2-(4-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide is CN(C)S(=O)(=O)N1CCOC(c2cc(CCOc3ccc(F)cc3)[nH]n2)C1.
What is the InChIKey of 2-[5-[2-(4-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide?
The InChIKey is PKDRDJKXTPWTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O4S/c1-21(2)27(23,24)22-8-10-26-17(12-22)16-11-14(19-20-16)7-9-25-15-5-3-13(18)4-6-15/h3-6,11,17H,7-10,12H2,1-2H3,(H,19,20).
What are the key properties of 2-[5-[2-(4-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide?
2-[5-[2-(4-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide has a molecular weight of 398.46 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(4-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide is sourced from PubChem (CID 127250740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).