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

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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).