N-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethyl]benzenesulfonamide

C24H21F3N4O3S — CID 21091054

IUPACN-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethyl]benzenesulfonamide
SMILESCOc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(CCNS(=O)(=O)c3ccccc3)cc2)cn1
InChIInChI=1S/C24H21F3N4O3S/c1-34-23-12-11-19(16-28-23)31-21(15-22(30-31)24(25,26)27)18-9-7-17(8-10-18)13-14-29-35(32,33)20-5-3-2-4-6-20/h2-12,15-16,29H,13-14H2,1H3
InChIKeyJMVZHWWBJFTVGV-UHFFFAOYSA-N
MW502.52 g/mol
LogP4.48
Rot. Bonds8

About N-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethyl]benzenesulfonamide

N-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethyl]benzenesulfonamide (PubChem CID 21091054) has the molecular formula C24H21F3N4O3S and a molecular weight of 502.52 g/mol. Its IUPAC name is N-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethyl]benzenesulfonamide
PubChem CID21091054
Molecular FormulaC24H21F3N4O3S
Molecular Weight502.52 g/mol
Exact Mass502.13
IUPAC NameN-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethyl]benzenesulfonamide
SMILESCOc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(CCNS(=O)(=O)c3ccccc3)cc2)cn1
InChIInChI=1S/C24H21F3N4O3S/c1-34-23-12-11-19(16-28-23)31-21(15-22(30-31)24(25,26)27)18-9-7-17(8-10-18)13-14-29-35(32,33)20-5-3-2-4-6-20/h2-12,15-16,29H,13-14H2,1H3
InChIKeyJMVZHWWBJFTVGV-UHFFFAOYSA-N
XLogP4.48
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.52
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethyl]benzenesulfonamide with MolForge

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Related Compounds

1-[1-[(6-methoxy-3-pyridinyl)sulfonyl]-5-phenylpyrrol-3-yl]-N-methylmethanamine;hydrochloride
CID 57522266
1-(p-Anisylsulfonyl)-7-[4-(trifluoromethyl)phenyl]-6-aza-1H-indole
CID 66757813
2,4-difluoro-N-[2-methoxy-5-[4-[4-(pyrazol-1-ylmethyl)phenyl]quinolin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 74538916
US9974785, Example 8
CID 118654355
3-[2-methoxy-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490583
3-[4-[3-(2-methoxy-4-pyridinyl)-5-methyl-1H-pyrazol-4-yl]phenyl]benzenesulfonamide
CID 166490633
3-[4-[5-(2-methoxy-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide
CID 166490667
3-{5-Amino-3-[4-(4-methoxy-benzenesulfonylamino)-phenyl]-pyrazol-1-yl}-1-trifluoromethyl-pyrazin-1-ium
CID 44312687
N-[(1R)-1-[4-(5-cyano-2-methoxy-3-pyridinyl)phenyl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide
CID 50942312
N-[(1R)-1-[4-(2-methoxy-3-pyridinyl)phenyl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide
CID 53318167
4-methoxy-N-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzenesulfonamide
CID 154631927
US10370333, Example XI-32
CID 89769070

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethyl]benzenesulfonamide?
The IUPAC name of N-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethyl]benzenesulfonamide (CID 21091054) is N-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethyl]benzenesulfonamide is COc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(CCNS(=O)(=O)c3ccccc3)cc2)cn1.
What is the InChIKey of N-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethyl]benzenesulfonamide?
The InChIKey is JMVZHWWBJFTVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O3S/c1-34-23-12-11-19(16-28-23)31-21(15-22(30-31)24(25,26)27)18-9-7-17(8-10-18)13-14-29-35(32,33)20-5-3-2-4-6-20/h2-12,15-16,29H,13-14H2,1H3.
What are the key properties of N-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethyl]benzenesulfonamide?
N-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethyl]benzenesulfonamide has a molecular weight of 502.52 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 21091054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).