6-[1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine

C21H24ClN7O2S — CID 24561080

IUPAC6-[1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCC(c1nc(N)nc(Nc2ccccc2)n1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C21H24ClN7O2S/c1-15(19-25-20(23)27-21(26-19)24-16-7-3-2-4-8-16)28-11-13-29(14-12-28)32(30,31)18-10-6-5-9-17(18)22/h2-10,15H,11-14H2,1H3,(H3,23,24,25,26,27)
InChIKeyAQDKSGAQHTUGNA-UHFFFAOYSA-N
MW473.99 g/mol
LogP2.92
Rot. Bonds6

About 6-[1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine

6-[1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 24561080) has the molecular formula C21H24ClN7O2S and a molecular weight of 473.99 g/mol. Its IUPAC name is 6-[1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID24561080
Molecular FormulaC21H24ClN7O2S
Molecular Weight473.99 g/mol
Exact Mass473.14
IUPAC Name6-[1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCC(c1nc(N)nc(Nc2ccccc2)n1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C21H24ClN7O2S/c1-15(19-25-20(23)27-21(26-19)24-16-7-3-2-4-8-16)28-11-13-29(14-12-28)32(30,31)18-10-6-5-9-17(18)22/h2-10,15H,11-14H2,1H3,(H3,23,24,25,26,27)
InChIKeyAQDKSGAQHTUGNA-UHFFFAOYSA-N
XLogP2.92
TPSA117.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.99
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-[1-(azepan-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 42925988
6-[(1S)-1-(4-methylpiperidin-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 30238115
6-[(1R)-1-(4-methylpiperidin-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 30238118
2-N-phenyl-6-[(1S)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 35016466
6-[(1S)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 30765842
6-[(1S)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 34925494
6-[1-(methylamino)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 18126026
4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine
CID 53047759
(2S)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-methylpropanamide
CID 8693885
6-[1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 18124512
6-[1-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 24560839
2-[(1R)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylquinazoline
CID 59993462

Frequently Asked Questions

What is the IUPAC name of 6-[1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine (CID 24561080) is 6-[1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine is CC(c1nc(N)nc(Nc2ccccc2)n1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 6-[1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is AQDKSGAQHTUGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN7O2S/c1-15(19-25-20(23)27-21(26-19)24-16-7-3-2-4-8-16)28-11-13-29(14-12-28)32(30,31)18-10-6-5-9-17(18)22/h2-10,15H,11-14H2,1H3,(H3,23,24,25,26,27).
What are the key properties of 6-[1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
6-[1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 473.99 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 24561080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).