4-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine

C19H24ClN5O2S — CID 50946303

IUPAC4-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine
SMILESCc1cc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)nc(N2CCCC2)n1
InChIInChI=1S/C19H24ClN5O2S/c1-15-13-18(22-19(21-15)24-7-2-3-8-24)23-9-11-25(12-10-23)28(26,27)17-6-4-5-16(20)14-17/h4-6,13-14H,2-3,7-12H2,1H3
InChIKeyHUGYTHIAOPORKQ-UHFFFAOYSA-N
MW421.95 g/mol
LogP2.55
Rot. Bonds4

About 4-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine

4-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine (PubChem CID 50946303) has the molecular formula C19H24ClN5O2S and a molecular weight of 421.95 g/mol. Its IUPAC name is 4-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine
PubChem CID50946303
Molecular FormulaC19H24ClN5O2S
Molecular Weight421.95 g/mol
Exact Mass421.13
IUPAC Name4-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine
SMILESCc1cc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)nc(N2CCCC2)n1
InChIInChI=1S/C19H24ClN5O2S/c1-15-13-18(22-19(21-15)24-7-2-3-8-24)23-9-11-25(12-10-23)28(26,27)17-6-4-5-16(20)14-17/h4-6,13-14H,2-3,7-12H2,1H3
InChIKeyHUGYTHIAOPORKQ-UHFFFAOYSA-N
XLogP2.55
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.95
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine (CID 50946303) is 4-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine is Cc1cc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)nc(N2CCCC2)n1.
What is the InChIKey of 4-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine?
The InChIKey is HUGYTHIAOPORKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O2S/c1-15-13-18(22-19(21-15)24-7-2-3-8-24)23-9-11-25(12-10-23)28(26,27)17-6-4-5-16(20)14-17/h4-6,13-14H,2-3,7-12H2,1H3.
What are the key properties of 4-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine?
4-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine has a molecular weight of 421.95 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 50946303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).