4-[1-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine

C15H18FN3O5S2 — CID 22579045

IUPAC4-[1-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine
SMILESCc1nn(S(=O)(=O)c2ccc(F)cc2)c(C)c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C15H18FN3O5S2/c1-11-15(26(22,23)18-7-9-24-10-8-18)12(2)19(17-11)25(20,21)14-5-3-13(16)4-6-14/h3-6H,7-10H2,1-2H3
InChIKeyZHNDTVVVSUSOET-UHFFFAOYSA-N
MW403.46 g/mol
LogP0.90
Rot. Bonds4

About 4-[1-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine

4-[1-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine (PubChem CID 22579045) has the molecular formula C15H18FN3O5S2 and a molecular weight of 403.46 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine
PubChem CID22579045
Molecular FormulaC15H18FN3O5S2
Molecular Weight403.46 g/mol
Exact Mass403.07
IUPAC Name4-[1-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine
SMILESCc1nn(S(=O)(=O)c2ccc(F)cc2)c(C)c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C15H18FN3O5S2/c1-11-15(26(22,23)18-7-9-24-10-8-18)12(2)19(17-11)25(20,21)14-5-3-13(16)4-6-14/h3-6H,7-10H2,1-2H3
InChIKeyZHNDTVVVSUSOET-UHFFFAOYSA-N
XLogP0.90
TPSA98.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[1-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(4-bromophenyl)sulfonyl-3,5-dimethylpyrazol-4-yl]sulfonyl-4-methylpiperidine
CID 22579049
1-(4-fluorophenyl)-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperazine
CID 53075855
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
(3R)-1-[1-(4-bromophenyl)sulfonyl-3,5-dimethylpyrazol-4-yl]sulfonyl-3-methylpiperidine
CID 40813565
(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-(2-ethoxyphenyl)methanone
CID 27655873
1-[3,5-dimethyl-1-(3-nitrophenyl)sulfonylpyrazol-4-yl]sulfonylazepane
CID 46354022
4-[1-[[2-(difluoromethoxy)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine
CID 78881093
4-(4-methylsulfanylphenyl)sulfonylmorpholine
CID 967774
(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-(4-nitrophenyl)methanone
CID 27452987
N,N-diethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 631492
4-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]sulfonylmorpholine
CID 8668021
4-[3,5-dimethyl-1-[(4-methylpiperidin-1-yl)methyl]pyrazol-4-yl]sulfonylmorpholine
CID 9193605

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine?
The IUPAC name of 4-[1-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine (CID 22579045) is 4-[1-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[1-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine?
The canonical SMILES for 4-[1-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine is Cc1nn(S(=O)(=O)c2ccc(F)cc2)c(C)c1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-[1-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine?
The InChIKey is ZHNDTVVVSUSOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O5S2/c1-11-15(26(22,23)18-7-9-24-10-8-18)12(2)19(17-11)25(20,21)14-5-3-13(16)4-6-14/h3-6H,7-10H2,1-2H3.
What are the key properties of 4-[1-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine?
4-[1-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine has a molecular weight of 403.46 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine is sourced from PubChem (CID 22579045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).