2-[1-ethyl-4-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide

C22H23F3N4O3S — CID 67646742

IUPAC2-[1-ethyl-4-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
SMILESCCn1nc(-c2ccccc2S(N)(=O)=O)c(-c2ccc(N3CCOCC3)cc2)c1C(F)(F)F
InChIInChI=1S/C22H23F3N4O3S/c1-2-29-21(22(23,24)25)19(15-7-9-16(10-8-15)28-11-13-32-14-12-28)20(27-29)17-5-3-4-6-18(17)33(26,30)31/h3-10H,2,11-14H2,1H3,(H2,26,30,31)
InChIKeyGZQCKOHMAYZLJP-UHFFFAOYSA-N
MW480.51 g/mol
LogP3.74
Rot. Bonds5

About 2-[1-ethyl-4-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide

2-[1-ethyl-4-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide (PubChem CID 67646742) has the molecular formula C22H23F3N4O3S and a molecular weight of 480.51 g/mol. Its IUPAC name is 2-[1-ethyl-4-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[1-ethyl-4-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
PubChem CID67646742
Molecular FormulaC22H23F3N4O3S
Molecular Weight480.51 g/mol
Exact Mass480.14
IUPAC Name2-[1-ethyl-4-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
SMILESCCn1nc(-c2ccccc2S(N)(=O)=O)c(-c2ccc(N3CCOCC3)cc2)c1C(F)(F)F
InChIInChI=1S/C22H23F3N4O3S/c1-2-29-21(22(23,24)25)19(15-7-9-16(10-8-15)28-11-13-32-14-12-28)20(27-29)17-5-3-4-6-18(17)33(26,30)31/h3-10H,2,11-14H2,1H3,(H2,26,30,31)
InChIKeyGZQCKOHMAYZLJP-UHFFFAOYSA-N
XLogP3.74
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.51
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-(4-Dimethylamino-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
CID 9822818
4-methyl-N-[[3-(4-methylphenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-3-morpholin-4-ylsulfonylaniline
CID 90656820
US9156811, Ddd86314
CID 58561266
5-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1-phenylpyrazole-4-sulfonamide
CID 172434057
US9156811, Ddd73506
CID 117905411
4-[5-[4-(4-Methylpiperazin-1-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 178251302
4-(3,5-Diphenyl-1H-pyrazol-1-YL)-1-(5-fluoro-2-methylbenzenesulfonyl)piperidine
CID 46097738
N-[2-[3-[2-ethyl-5-(morpholin-4-ylmethyl)pyrazol-3-yl]phenyl]propan-2-yl]-2,2,2-trifluoroethanesulfonamide
CID 11454314
4-[[(4aS)-1-(4-fluorophenyl)-6-(2-methylphenyl)sulfonyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]methyl]morpholine
CID 11584449
4-[[(4aS)-1-(4-fluorophenyl)-6-(2-fluorophenyl)sulfonyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]methyl]morpholine
CID 11678108
N-(2-methoxyethyl)-4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 11988545
4-[3-(Difluoromethyl)-5-(4-morpholin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide
CID 15293123

Frequently Asked Questions

What is the IUPAC name of 2-[1-ethyl-4-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 2-[1-ethyl-4-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide (CID 67646742) is 2-[1-ethyl-4-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 2-[1-ethyl-4-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 2-[1-ethyl-4-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide is CCn1nc(-c2ccccc2S(N)(=O)=O)c(-c2ccc(N3CCOCC3)cc2)c1C(F)(F)F.
What is the InChIKey of 2-[1-ethyl-4-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide?
The InChIKey is GZQCKOHMAYZLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O3S/c1-2-29-21(22(23,24)25)19(15-7-9-16(10-8-15)28-11-13-32-14-12-28)20(27-29)17-5-3-4-6-18(17)33(26,30)31/h3-10H,2,11-14H2,1H3,(H2,26,30,31).
What are the key properties of 2-[1-ethyl-4-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide?
2-[1-ethyl-4-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide has a molecular weight of 480.51 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-ethyl-4-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 67646742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).