N-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]benzenesulfonamide

C22H17FN4O2S — CID 90313395

IUPACN-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]benzenesulfonamide
SMILESNc1cnc(-c2ccc(-c3ccccc3NS(=O)(=O)c3ccccc3)cc2F)cn1
InChIInChI=1S/C22H17FN4O2S/c23-19-12-15(10-11-18(19)21-13-26-22(24)14-25-21)17-8-4-5-9-20(17)27-30(28,29)16-6-2-1-3-7-16/h1-14,27H,(H2,24,26)
InChIKeyRIQPGVMAVZLXNB-UHFFFAOYSA-N
MW420.47 g/mol
LogP4.33
Rot. Bonds5

About N-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]benzenesulfonamide

N-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]benzenesulfonamide (PubChem CID 90313395) has the molecular formula C22H17FN4O2S and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]benzenesulfonamide
PubChem CID90313395
Molecular FormulaC22H17FN4O2S
Molecular Weight420.47 g/mol
Exact Mass420.11
IUPAC NameN-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]benzenesulfonamide
SMILESNc1cnc(-c2ccc(-c3ccccc3NS(=O)(=O)c3ccccc3)cc2F)cn1
InChIInChI=1S/C22H17FN4O2S/c23-19-12-15(10-11-18(19)21-13-26-22(24)14-25-21)17-8-4-5-9-20(17)27-30(28,29)16-6-2-1-3-7-16/h1-14,27H,(H2,24,26)
InChIKeyRIQPGVMAVZLXNB-UHFFFAOYSA-N
XLogP4.33
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]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

N-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]hexane-1-sulfinamide
CID 137395916
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(cyclobutylmethyl)benzenesulfonamide
CID 90312981
1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-N-ethylmethanesulfonamide
CID 90313025
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(1-hydroxy-1-phenylpropan-2-yl)benzenesulfonamide
CID 135360356
N-[2-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]phenyl]methanesulfonamide
CID 90313538
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[(1S)-2-hydroxy-1H-inden-1-yl]benzenesulfonamide
CID 130368214
5-[2-fluoro-4-(2-pyrrolidin-1-ylsulfinylphenyl)phenyl]pyrazin-2-amine
CID 137395622
1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfonylpyrrolidine-3,4-diol
CID 90314151
N-(2-aminoethyl)-2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]benzenesulfinamide
CID 138711929
5-[4-(2-cyclohexylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine;hydrochloride
CID 90313745
6-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-4-amine
CID 90313818
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide;sulfane
CID 158522609

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]benzenesulfonamide?
The IUPAC name of N-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]benzenesulfonamide (CID 90313395) is N-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]benzenesulfonamide is Nc1cnc(-c2ccc(-c3ccccc3NS(=O)(=O)c3ccccc3)cc2F)cn1.
What is the InChIKey of N-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]benzenesulfonamide?
The InChIKey is RIQPGVMAVZLXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2S/c23-19-12-15(10-11-18(19)21-13-26-22(24)14-25-21)17-8-4-5-9-20(17)27-30(28,29)16-6-2-1-3-7-16/h1-14,27H,(H2,24,26).
What are the key properties of N-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]benzenesulfonamide?
N-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]benzenesulfonamide has a molecular weight of 420.47 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 90313395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).