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

C19H16F3N3O3S — CID 126473095

IUPACN-[3-[4-(methoxymethyl)phenyl]pyrazin-2-yl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCOCc1ccc(-c2nccnc2NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H16F3N3O3S/c1-28-12-13-2-4-14(5-3-13)17-18(24-11-10-23-17)25-29(26,27)16-8-6-15(7-9-16)19(20,21)22/h2-11H,12H2,1H3,(H,24,25)
InChIKeyTXRPUPRBNTYNPX-UHFFFAOYSA-N
MW423.42 g/mol
LogP4.11
Rot. Bonds6

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

N-[3-[4-(methoxymethyl)phenyl]pyrazin-2-yl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 126473095) has the molecular formula C19H16F3N3O3S and a molecular weight of 423.42 g/mol. Its IUPAC name is N-[3-[4-(methoxymethyl)phenyl]pyrazin-2-yl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(methoxymethyl)phenyl]pyrazin-2-yl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID126473095
Molecular FormulaC19H16F3N3O3S
Molecular Weight423.42 g/mol
Exact Mass423.09
IUPAC NameN-[3-[4-(methoxymethyl)phenyl]pyrazin-2-yl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCOCc1ccc(-c2nccnc2NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H16F3N3O3S/c1-28-12-13-2-4-14(5-3-13)17-18(24-11-10-23-17)25-29(26,27)16-8-6-15(7-9-16)19(20,21)22/h2-11H,12H2,1H3,(H,24,25)
InChIKeyTXRPUPRBNTYNPX-UHFFFAOYSA-N
XLogP4.11
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(methoxymethyl)phenyl]pyrazin-2-yl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[3-[4-(methoxymethyl)phenyl]pyrazin-2-yl]-4-(trifluoromethyl)benzenesulfonamide (CID 126473095) is N-[3-[4-(methoxymethyl)phenyl]pyrazin-2-yl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[3-[4-(methoxymethyl)phenyl]pyrazin-2-yl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[3-[4-(methoxymethyl)phenyl]pyrazin-2-yl]-4-(trifluoromethyl)benzenesulfonamide is COCc1ccc(-c2nccnc2NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-[3-[4-(methoxymethyl)phenyl]pyrazin-2-yl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is TXRPUPRBNTYNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O3S/c1-28-12-13-2-4-14(5-3-13)17-18(24-11-10-23-17)25-29(26,27)16-8-6-15(7-9-16)19(20,21)22/h2-11H,12H2,1H3,(H,24,25).
What are the key properties of N-[3-[4-(methoxymethyl)phenyl]pyrazin-2-yl]-4-(trifluoromethyl)benzenesulfonamide?
N-[3-[4-(methoxymethyl)phenyl]pyrazin-2-yl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 423.42 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(methoxymethyl)phenyl]pyrazin-2-yl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 126473095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).