4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine

C23H33FN8O4S — CID 162670157

IUPAC4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine
SMILESO=S(=O)(c1ccccc1F)N1CCN(c2nc(NCCN3CCOCC3)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C23H33FN8O4S/c24-19-3-1-2-4-20(19)37(33,34)32-9-7-30(8-10-32)22-26-21(25-5-6-29-11-15-35-16-12-29)27-23(28-22)31-13-17-36-18-14-31/h1-4H,5-18H2,(H,25,26,27,28)
InChIKeySWWMWESALNZXAY-UHFFFAOYSA-N
MW536.63 g/mol
LogP0.10
Rot. Bonds8

About 4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine

4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine (PubChem CID 162670157) has the molecular formula C23H33FN8O4S and a molecular weight of 536.63 g/mol. Its IUPAC name is 4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine
PubChem CID162670157
Molecular FormulaC23H33FN8O4S
Molecular Weight536.63 g/mol
Exact Mass536.23
IUPAC Name4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine
SMILESO=S(=O)(c1ccccc1F)N1CCN(c2nc(NCCN3CCOCC3)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C23H33FN8O4S/c24-19-3-1-2-4-20(19)37(33,34)32-9-7-30(8-10-32)22-26-21(25-5-6-29-11-15-35-16-12-29)27-23(28-22)31-13-17-36-18-14-31/h1-4H,5-18H2,(H,25,26,27,28)
InChIKeySWWMWESALNZXAY-UHFFFAOYSA-N
XLogP0.10
TPSA116.26 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.63
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Related Compounds

4-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine
CID 162660548
4-(2-fluorophenyl)-2-methyl-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668546
1-(2-fluorophenyl)sulfonyl-4-pentylpiperazine
CID 45369127
4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-6-phenylpyrimidin-2-amine
CID 112935363
1-(2-fluorophenyl)sulfonyl-4-(3-methylbutyl)piperazine;hydrochloride
CID 163331835
2-N,4-N-bis(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine
CID 1095343
2-methylsulfonyl-N-(2-morpholin-4-ylethyl)aniline
CID 43388034
N-(2,6-difluorophenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109325294
N-(2-fluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109301487
N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-2-fluorobenzenesulfonamide
CID 119099669
1-[(2-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine
CID 8749281
1-benzylsulfonyl-4-(2-fluorophenyl)sulfonylpiperazine
CID 26527715

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine (CID 162670157) is 4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine is O=S(=O)(c1ccccc1F)N1CCN(c2nc(NCCN3CCOCC3)nc(N3CCOCC3)n2)CC1.
What is the InChIKey of 4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine?
The InChIKey is SWWMWESALNZXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33FN8O4S/c24-19-3-1-2-4-20(19)37(33,34)32-9-7-30(8-10-32)22-26-21(25-5-6-29-11-15-35-16-12-29)27-23(28-22)31-13-17-36-18-14-31/h1-4H,5-18H2,(H,25,26,27,28).
What are the key properties of 4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine?
4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine has a molecular weight of 536.63 g/mol, XLogP of 0.10, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 162670157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).