N-cyclopropyl-3-[4-(2-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]quinoxalin-2-amine

C22H24FN5O2S — CID 118308643

IUPACN-cyclopropyl-3-[4-(2-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]quinoxalin-2-amine
SMILESCc1ccc(F)c(S(=O)(=O)N2CCN(c3nc4ccccc4nc3NC3CC3)CC2)c1
InChIInChI=1S/C22H24FN5O2S/c1-15-6-9-17(23)20(14-15)31(29,30)28-12-10-27(11-13-28)22-21(24-16-7-8-16)25-18-4-2-3-5-19(18)26-22/h2-6,9,14,16H,7-8,10-13H2,1H3,(H,24,25)
InChIKeySTYLRNQVHNJZPH-UHFFFAOYSA-N
MW441.53 g/mol
LogP3.16
Rot. Bonds5

About N-cyclopropyl-3-[4-(2-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]quinoxalin-2-amine

N-cyclopropyl-3-[4-(2-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]quinoxalin-2-amine (PubChem CID 118308643) has the molecular formula C22H24FN5O2S and a molecular weight of 441.53 g/mol. Its IUPAC name is N-cyclopropyl-3-[4-(2-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]quinoxalin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-[4-(2-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]quinoxalin-2-amine
PubChem CID118308643
Molecular FormulaC22H24FN5O2S
Molecular Weight441.53 g/mol
Exact Mass441.16
IUPAC NameN-cyclopropyl-3-[4-(2-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]quinoxalin-2-amine
SMILESCc1ccc(F)c(S(=O)(=O)N2CCN(c3nc4ccccc4nc3NC3CC3)CC2)c1
InChIInChI=1S/C22H24FN5O2S/c1-15-6-9-17(23)20(14-15)31(29,30)28-12-10-27(11-13-28)22-21(24-16-7-8-16)25-18-4-2-3-5-19(18)26-22/h2-6,9,14,16H,7-8,10-13H2,1H3,(H,24,25)
InChIKeySTYLRNQVHNJZPH-UHFFFAOYSA-N
XLogP3.16
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(4-chloro-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-cyclopropylquinoxalin-2-amine
CID 118308516
N-cyclopropyl-3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-methylquinoxalin-2-amine
CID 90038996
3-(4-cyclopentylsulfonylpiperazin-1-yl)-N-cyclopropylquinoxalin-2-amine
CID 90039114
3-[4-(3-cyano-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-(cyclopropylamino)quinoxaline-6-carbonitrile
CID 90038219
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(trifluoromethyl)quinoxaline
CID 53052250
N-cyclopropyl-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]quinoxalin-2-amine;2,2,2-trifluoroacetic acid
CID 73050885
[4-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperazin-1-yl]-(2-fluoro-4-methylphenyl)methanone;2,2,2-trifluoroacetic acid
CID 162339941
3-[4-[(4-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-N-cyclopropylquinoxalin-2-amine
CID 90039147
N-cyclopropyl-3-[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine
CID 90040007
N-cyclobutyl-3-[4-[(2,5-difluorophenyl)-fluoromethyl]piperidin-1-yl]quinoxalin-2-amine
CID 118308639
1-(2-fluoro-5-methylphenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62535415
3-[4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(cyclopropylamino)quinoxaline-6-carbonitrile
CID 90037615

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[4-(2-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]quinoxalin-2-amine?
The IUPAC name of N-cyclopropyl-3-[4-(2-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]quinoxalin-2-amine (CID 118308643) is N-cyclopropyl-3-[4-(2-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]quinoxalin-2-amine.
What is the SMILES notation for N-cyclopropyl-3-[4-(2-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]quinoxalin-2-amine?
The canonical SMILES for N-cyclopropyl-3-[4-(2-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]quinoxalin-2-amine is Cc1ccc(F)c(S(=O)(=O)N2CCN(c3nc4ccccc4nc3NC3CC3)CC2)c1.
What is the InChIKey of N-cyclopropyl-3-[4-(2-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]quinoxalin-2-amine?
The InChIKey is STYLRNQVHNJZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O2S/c1-15-6-9-17(23)20(14-15)31(29,30)28-12-10-27(11-13-28)22-21(24-16-7-8-16)25-18-4-2-3-5-19(18)26-22/h2-6,9,14,16H,7-8,10-13H2,1H3,(H,24,25).
What are the key properties of N-cyclopropyl-3-[4-(2-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]quinoxalin-2-amine?
N-cyclopropyl-3-[4-(2-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]quinoxalin-2-amine has a molecular weight of 441.53 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[4-(2-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]quinoxalin-2-amine is sourced from PubChem (CID 118308643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).