N-[4-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]cyclohexyl]morpholine-4-sulfonamide

C19H25FN4O3S — CID 52918615

IUPACN-[4-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]cyclohexyl]morpholine-4-sulfonamide
SMILESO=S(=O)(NC1CCC(c2cc(-c3cccc(F)c3)n[nH]2)CC1)N1CCOCC1
InChIInChI=1S/C19H25FN4O3S/c20-16-3-1-2-15(12-16)19-13-18(21-22-19)14-4-6-17(7-5-14)23-28(25,26)24-8-10-27-11-9-24/h1-3,12-14,17,23H,4-11H2,(H,21,22)
InChIKeyLKXYPCPSSWKQHA-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.41
Rot. Bonds5

About N-[4-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]cyclohexyl]morpholine-4-sulfonamide

N-[4-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]cyclohexyl]morpholine-4-sulfonamide (PubChem CID 52918615) has the molecular formula C19H25FN4O3S and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[4-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]cyclohexyl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[4-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]cyclohexyl]morpholine-4-sulfonamide
PubChem CID52918615
Molecular FormulaC19H25FN4O3S
Molecular Weight408.50 g/mol
Exact Mass408.16
IUPAC NameN-[4-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]cyclohexyl]morpholine-4-sulfonamide
SMILESO=S(=O)(NC1CCC(c2cc(-c3cccc(F)c3)n[nH]2)CC1)N1CCOCC1
InChIInChI=1S/C19H25FN4O3S/c20-16-3-1-2-15(12-16)19-13-18(21-22-19)14-4-6-17(7-5-14)23-28(25,26)24-8-10-27-11-9-24/h1-3,12-14,17,23H,4-11H2,(H,21,22)
InChIKeyLKXYPCPSSWKQHA-UHFFFAOYSA-N
XLogP2.41
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-(5-(cyclohexylmethyl)-1H-pyrazol-3-yl)-2-methylphenylsulfonyl)morpholine
CID 44591350
3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N,N-dimethylpiperidine-1-sulfonamide
CID 53185309
4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N~1~-(2-methoxyethyl)tetrahydro-1(2H)-pyridinecarboxamide
CID 53185327
4-[[3-(3-fluorophenyl)-1H-pyrazol-5-yl]methyl]morpholine
CID 53193284
4-[(3-phenyl-1H-pyrazol-5-yl)methyl]morpholine
CID 53015292
N,N-dimethyl-3-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide
CID 53185293
N,N-dimethyl-4-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide
CID 53185322
3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 53185305
4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-(methylsulfonyl)piperidine
CID 71836803
(3S)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95107383
N-[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 44470004
N-[4-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 44470292

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]cyclohexyl]morpholine-4-sulfonamide?
The IUPAC name of N-[4-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]cyclohexyl]morpholine-4-sulfonamide (CID 52918615) is N-[4-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]cyclohexyl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[4-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]cyclohexyl]morpholine-4-sulfonamide?
The canonical SMILES for N-[4-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]cyclohexyl]morpholine-4-sulfonamide is O=S(=O)(NC1CCC(c2cc(-c3cccc(F)c3)n[nH]2)CC1)N1CCOCC1.
What is the InChIKey of N-[4-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]cyclohexyl]morpholine-4-sulfonamide?
The InChIKey is LKXYPCPSSWKQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O3S/c20-16-3-1-2-15(12-16)19-13-18(21-22-19)14-4-6-17(7-5-14)23-28(25,26)24-8-10-27-11-9-24/h1-3,12-14,17,23H,4-11H2,(H,21,22).
What are the key properties of N-[4-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]cyclohexyl]morpholine-4-sulfonamide?
N-[4-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]cyclohexyl]morpholine-4-sulfonamide has a molecular weight of 408.50 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]cyclohexyl]morpholine-4-sulfonamide is sourced from PubChem (CID 52918615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).