N-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-4-(trifluoromethyl)benzenesulfonamide

C18H14F3N3O3S — CID 126475309

IUPACN-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccnc1-c1ccc(CO)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H14F3N3O3S/c19-18(20,21)14-5-7-15(8-6-14)28(26,27)24-17-16(22-9-10-23-17)13-3-1-12(11-25)2-4-13/h1-10,25H,11H2,(H,23,24)
InChIKeyBQZPGBROCPVVPZ-UHFFFAOYSA-N
MW409.39 g/mol
LogP3.46
Rot. Bonds5

About N-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-4-(trifluoromethyl)benzenesulfonamide

N-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 126475309) has the molecular formula C18H14F3N3O3S and a molecular weight of 409.39 g/mol. Its IUPAC name is N-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID126475309
Molecular FormulaC18H14F3N3O3S
Molecular Weight409.39 g/mol
Exact Mass409.07
IUPAC NameN-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccnc1-c1ccc(CO)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H14F3N3O3S/c19-18(20,21)14-5-7-15(8-6-14)28(26,27)24-17-16(22-9-10-23-17)13-3-1-12(11-25)2-4-13/h1-10,25H,11H2,(H,23,24)
InChIKeyBQZPGBROCPVVPZ-UHFFFAOYSA-N
XLogP3.46
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.39
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-4-(trifluoromethyl)benzenesulfonamide 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

(2s)-2-{4'-[(6-Aminopyridin-3-Yl)sulfonyl]biphenyl-4-Yl}-1,1,1-Trifluoropropan-2-Ol
CID 66582902
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 77844749
(1-{[4'-(5-Aminopyrazin-2-yl)-3'-fluorobiphenyl-2-yl]sulfonyl}piperidin-4-yl)methanol
CID 77844324
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 77844455
4''-(5-Aminopyrazin-2-yl)-3''-fluoro-N-(3-hydroxy-1,1-dimethylpropyl)biphenyl-2-sulfonamide
CID 77844456
4''-(5-Aminopyrazin-2-yl)-3''-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)biphenyl-2-sulfonamide
CID 77844517
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 77844580
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(6-hydroxyhexyl)benzenesulfonamide
CID 77844645
4'-(5-Aminopyrazin-2-yl)-3'-fluoro-N-[(1S,2S)-2-hydroxy-1-(hydroxymethyl)-2-phenylethyl]biphenyl-2-sulfonamide
CID 77844752
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 77844805
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzenesulfonamide
CID 90312598
2-(1-{[4'-(5-Aminopyrazin-2-yl)-3'-fluorobiphenyl-2-yl]sulfonyl}piperidin-4-yl)ethanol
CID 90312809

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-4-(trifluoromethyl)benzenesulfonamide (CID 126475309) is N-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-4-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1nccnc1-c1ccc(CO)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is BQZPGBROCPVVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O3S/c19-18(20,21)14-5-7-15(8-6-14)28(26,27)24-17-16(22-9-10-23-17)13-3-1-12(11-25)2-4-13/h1-10,25H,11H2,(H,23,24).
What are the key properties of N-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-4-(trifluoromethyl)benzenesulfonamide?
N-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 409.39 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 126475309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).