2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-4-amine

C17H22ClN5O2S — CID 18566560

IUPAC2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-4-amine
SMILESCCNc1cc(C)nc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C17H22ClN5O2S/c1-3-19-16-12-13(2)20-17(21-16)22-8-10-23(11-9-22)26(24,25)15-6-4-14(18)5-7-15/h4-7,12H,3,8-11H2,1-2H3,(H,19,20,21)
InChIKeyHHCBRVZNYHEEJS-UHFFFAOYSA-N
MW395.92 g/mol
LogP2.38
Rot. Bonds5

About 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-4-amine

2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-4-amine (PubChem CID 18566560) has the molecular formula C17H22ClN5O2S and a molecular weight of 395.92 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-4-amine
PubChem CID18566560
Molecular FormulaC17H22ClN5O2S
Molecular Weight395.92 g/mol
Exact Mass395.12
IUPAC Name2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-4-amine
SMILESCCNc1cc(C)nc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C17H22ClN5O2S/c1-3-19-16-12-13(2)20-17(21-16)22-8-10-23(11-9-22)26(24,25)15-6-4-14(18)5-7-15/h4-7,12H,3,8-11H2,1-2H3,(H,19,20,21)
InChIKeyHHCBRVZNYHEEJS-UHFFFAOYSA-N
XLogP2.38
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.92
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-Chlorophenyl)sulfonyl]-3-[(2,6-dimethylpyrimidin-4-yl)amino]acrylonitrile
CID 2819201
2-((2-Chlorophenyl)sulfonyl)-3-((2,6-dimethylpyrimidin-4-yl)amino)acrylonitrile
CID 2819205
3-[[6-(3-chloroanilino)pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide
CID 53328966
3-[[6-(4-chloroanilino)pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide
CID 53330551
3-[[6-(4-chloroanilino)pyrimidin-4-yl]amino]-4-[ethyl(methyl)amino]-N-methylbenzenesulfonamide
CID 68305004
4-chloro-N-(4-hydrazinyl-6-methyl-2-pyrimidinyl)benzenesulfonamide
CID 778488
N-(4-{[4-(ethylamino)-6-methylpyrimidin-2-yl]amino}phenyl)benzenesulfonamide
CID 44522245
4-chloro-N'-(4,6-dimethylpyrimidin-2-yl)benzenesulfonohydrazide
CID 2515357
4-chloro-N-[6-(4-methylpiperazino)-3-pyridinyl]benzenesulfonamide
CID 2768256
4-chloro-N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylcyclohexyl]benzenesulfonamide
CID 2913649
N-ethyl-2-(4-((4-fluorophenyl)sulfonyl)piperazin-1-yl)-6-methylpyrimidin-4-amine
CID 18566559
N-[6-benzyl-2-(2-phenylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-4-chlorobenzenesulfonamide
CID 44814590

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-4-amine (CID 18566560) is 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-4-amine is CCNc1cc(C)nc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1.
What is the InChIKey of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-4-amine?
The InChIKey is HHCBRVZNYHEEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O2S/c1-3-19-16-12-13(2)20-17(21-16)22-8-10-23(11-9-22)26(24,25)15-6-4-14(18)5-7-15/h4-7,12H,3,8-11H2,1-2H3,(H,19,20,21).
What are the key properties of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-4-amine?
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-4-amine has a molecular weight of 395.92 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-4-amine is sourced from PubChem (CID 18566560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).