2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine

C17H22ClN5O2S — CID 44894672

IUPAC2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine
SMILESCc1cc(N(C)C)nc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C17H22ClN5O2S/c1-13-11-16(21(2)3)20-17(19-13)22-7-9-23(10-8-22)26(24,25)15-6-4-5-14(18)12-15/h4-6,11-12H,7-10H2,1-3H3
InChIKeyOZJHMACOYZPCAC-UHFFFAOYSA-N
MW395.92 g/mol
LogP2.02
Rot. Bonds4

About 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine

2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine (PubChem CID 44894672) has the molecular formula C17H22ClN5O2S and a molecular weight of 395.92 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine
PubChem CID44894672
Molecular FormulaC17H22ClN5O2S
Molecular Weight395.92 g/mol
Exact Mass395.12
IUPAC Name2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine
SMILESCc1cc(N(C)C)nc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C17H22ClN5O2S/c1-13-11-16(21(2)3)20-17(19-13)22-7-9-23(10-8-22)26(24,25)15-6-4-5-14(18)12-15/h4-6,11-12H,7-10H2,1-3H3
InChIKeyOZJHMACOYZPCAC-UHFFFAOYSA-N
XLogP2.02
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.92
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N,6-trimethyl-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidin-4-amine
CID 121032150
4-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 50946303
N,N,6-trimethyl-2-(4-quinolin-8-ylsulfonylpiperazin-1-yl)pyrimidin-4-amine
CID 122332735
1-(3-chlorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
CID 19132655
1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine
CID 2481211
2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
CID 133382557
6-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-1H-benzimidazole
CID 110643459
N-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N,6-dimethylpyrimidin-4-amine
CID 112923626
2-(4-chlorophenyl)-1-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 121031971
2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
CID 133381627
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4,6-dimethylpyrimidine
CID 36551128
1-(3-chlorophenyl)sulfonyl-4-(4-propan-2-ylphenyl)piperazine
CID 113076262

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine?
The IUPAC name of 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine (CID 44894672) is 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine?
The canonical SMILES for 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine is Cc1cc(N(C)C)nc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)n1.
What is the InChIKey of 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine?
The InChIKey is OZJHMACOYZPCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O2S/c1-13-11-16(21(2)3)20-17(19-13)22-7-9-23(10-8-22)26(24,25)15-6-4-5-14(18)12-15/h4-6,11-12H,7-10H2,1-3H3.
What are the key properties of 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine?
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine has a molecular weight of 395.92 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine is sourced from PubChem (CID 44894672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).