N-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-N,2-dimethylpropane-1-sulfonamide

C21H23FN4O2S — CID 90314046

IUPACN-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-N,2-dimethylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)N(C)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1
InChIInChI=1S/C21H23FN4O2S/c1-14(2)13-29(27,28)26(3)20-7-5-4-6-16(20)15-8-9-17(18(22)10-15)19-11-25-21(23)12-24-19/h4-12,14H,13H2,1-3H3,(H2,23,25)
InChIKeyISFLCNPYHCLJGS-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.95
Rot. Bonds6

About N-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-N,2-dimethylpropane-1-sulfonamide

N-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-N,2-dimethylpropane-1-sulfonamide (PubChem CID 90314046) has the molecular formula C21H23FN4O2S and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-N,2-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-N,2-dimethylpropane-1-sulfonamide
PubChem CID90314046
Molecular FormulaC21H23FN4O2S
Molecular Weight414.51 g/mol
Exact Mass414.15
IUPAC NameN-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-N,2-dimethylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)N(C)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1
InChIInChI=1S/C21H23FN4O2S/c1-14(2)13-29(27,28)26(3)20-7-5-4-6-16(20)15-8-9-17(18(22)10-15)19-11-25-21(23)12-24-19/h4-12,14H,13H2,1-3H3,(H2,23,25)
InChIKeyISFLCNPYHCLJGS-UHFFFAOYSA-N
XLogP3.95
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-N,2-dimethylpropane-1-sulfonamide 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-(6-((1S)-1-(4-Fluorophenyl)-2,2-di-3-pyridinylethyl)-2-pyridinyl)methanesulfonamide
CID 11525190
N-((3R,4R)-4-(4-(6-fluoropyridin-3-yl)phenyl)-1-phenylpyrrolidin-3-yl)propane-2-sulfonamide
CID 11568363
N-[3-(4-{[(4-Fluoro-phenyl)-methyl-amino]-methyl}-phenyl)-pyrazin-2-yl]-2-trifluoromethyl-benzenesulfonamide
CID 57444239
N-(3-(3-Aminoisoquinolin-7-yl)-2,4-difluorophenyl)propane-1-sulfonamide
CID 70696122
5-(4-Methylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 71711842
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
5-(4-Piperazin-1-ylphenyl)-3-(1-propylsulfonyl-2,3-dihydroindol-6-yl)pyridin-2-amine
CID 135348376
N-[5-(6-amino-3-pyridinyl)-2-methyl-3-pyridinyl]benzenesulfonamide
CID 141461664
N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2-methylphenyl]propane-1-sulfonamide
CID 146306976
5-{2'-[(3,3-Difluoropiperidin-1-yl)sulfonyl]-3-fluorobiphenyl-4-yl}pyrazin-2-amine
CID 77844190
(1-{[4'-(5-Aminopyrazin-2-yl)-3'-fluorobiphenyl-2-yl]sulfonyl}piperidin-4-yl)methanol
CID 77844324

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-N,2-dimethylpropane-1-sulfonamide?
The IUPAC name of N-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-N,2-dimethylpropane-1-sulfonamide (CID 90314046) is N-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-N,2-dimethylpropane-1-sulfonamide.
What is the SMILES notation for N-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-N,2-dimethylpropane-1-sulfonamide?
The canonical SMILES for N-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-N,2-dimethylpropane-1-sulfonamide is CC(C)CS(=O)(=O)N(C)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1.
What is the InChIKey of N-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-N,2-dimethylpropane-1-sulfonamide?
The InChIKey is ISFLCNPYHCLJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2S/c1-14(2)13-29(27,28)26(3)20-7-5-4-6-16(20)15-8-9-17(18(22)10-15)19-11-25-21(23)12-24-19/h4-12,14H,13H2,1-3H3,(H2,23,25).
What are the key properties of N-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-N,2-dimethylpropane-1-sulfonamide?
N-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-N,2-dimethylpropane-1-sulfonamide has a molecular weight of 414.51 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 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]-N,2-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 90314046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).