2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide

C22H15F4N5O2S — CID 90313467

IUPAC2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide
SMILESNc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)Nc3ccc(C(F)(F)F)nc3)cc2F)cn1
InChIInChI=1S/C22H15F4N5O2S/c23-17-9-13(5-7-16(17)18-11-30-21(27)12-28-18)15-3-1-2-4-19(15)34(32,33)31-14-6-8-20(29-10-14)22(24,25)26/h1-12,31H,(H2,27,30)
InChIKeySJEGECCAKKVCTQ-UHFFFAOYSA-N
MW489.45 g/mol
LogP4.75
Rot. Bonds5

About 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide

2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide (PubChem CID 90313467) has the molecular formula C22H15F4N5O2S and a molecular weight of 489.45 g/mol. Its IUPAC name is 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide
PubChem CID90313467
Molecular FormulaC22H15F4N5O2S
Molecular Weight489.45 g/mol
Exact Mass489.09
IUPAC Name2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide
SMILESNc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)Nc3ccc(C(F)(F)F)nc3)cc2F)cn1
InChIInChI=1S/C22H15F4N5O2S/c23-17-9-13(5-7-16(17)18-11-30-21(27)12-28-18)15-3-1-2-4-19(15)34(32,33)31-14-6-8-20(29-10-14)22(24,25)26/h1-12,31H,(H2,27,30)
InChIKeySJEGECCAKKVCTQ-UHFFFAOYSA-N
XLogP4.75
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.45
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4-{[(4-Fluoro-phenyl)-methyl-amino]-methyl}-phenyl)-pyrazin-2-yl]-2-trifluoromethyl-benzenesulfonamide
CID 57444239
6-(4-Tert-butylphenyl)sulfonyl-7-pyridin-3-yl-2-(trifluoromethyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine
CID 59618747
5-(4-Methylsulfonylphenyl)-3-[6-(trifluoromethyl)-3-pyridyl]pyrazin-2-amine
CID 71665696
5-(4-Methylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 71711842
4-[5-amino-6-[6-(trifluoromethyl)-3-pyridyl]pyrazin-2-yl]-N-methyl-benzenesulfonamide
CID 71711988
5-(4-Ethylsulfonylphenyl)-3-[6-(trifluoromethyl)-3-pyridyl]pyrazin-2-amine
CID 71711989
5-(4-Isopropylsulfonylphenyl)-3-[6-(trifluoromethyl)-3-pyridyl]pyrazin-2-amine
CID 71712051
5-(4-Cyclopropylsulfonylphenyl)-3-[6-(trifluoromethyl)-3-pyridyl]pyrazin-2-amine
CID 71712188
4'-(5-Aminopyrazin-2-yl)-3'-fluoro-[1,1'-biphenyl]-2-sulfonamide
CID 77050680
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 77844749
N-[5-(6-amino-3-pyridinyl)-2-chloro-3-pyridinyl]benzenesulfonamide
CID 87570781
N-[5-(6-amino-3-pyridinyl)-2-methyl-3-pyridinyl]benzenesulfonamide
CID 141461664

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide (CID 90313467) is 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide is Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)Nc3ccc(C(F)(F)F)nc3)cc2F)cn1.
What is the InChIKey of 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is SJEGECCAKKVCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F4N5O2S/c23-17-9-13(5-7-16(17)18-11-30-21(27)12-28-18)15-3-1-2-4-19(15)34(32,33)31-14-6-8-20(29-10-14)22(24,25)26/h1-12,31H,(H2,27,30).
What are the key properties of 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide?
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 489.45 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 90313467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).