6-[4-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperazin-1-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one

C23H24ClN5O4S — CID 24881192

IUPAC6-[4-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperazin-1-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one
SMILESCc1ncc2n1C(=O)N(N1CCN(C(=O)CCS(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC1)C2
InChIInChI=1S/C23H24ClN5O4S/c1-16-25-14-20-15-28(23(31)29(16)20)27-9-7-26(8-10-27)22(30)6-11-34(32,33)21-5-3-17-12-19(24)4-2-18(17)13-21/h2-5,12-14H,6-11,15H2,1H3
InChIKeyIOPAWTDJMUKCAD-UHFFFAOYSA-N
MW502.00 g/mol
LogP2.71
Rot. Bonds5

About 6-[4-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperazin-1-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one

6-[4-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperazin-1-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one (PubChem CID 24881192) has the molecular formula C23H24ClN5O4S and a molecular weight of 502.00 g/mol. Its IUPAC name is 6-[4-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperazin-1-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one.

Molecular Properties

Compound Name6-[4-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperazin-1-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one
PubChem CID24881192
Molecular FormulaC23H24ClN5O4S
Molecular Weight502.00 g/mol
Exact Mass501.12
IUPAC Name6-[4-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperazin-1-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one
SMILESCc1ncc2n1C(=O)N(N1CCN(C(=O)CCS(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC1)C2
InChIInChI=1S/C23H24ClN5O4S/c1-16-25-14-20-15-28(23(31)29(16)20)27-9-7-26(8-10-27)22(30)6-11-34(32,33)21-5-3-17-12-19(24)4-2-18(17)13-21/h2-5,12-14H,6-11,15H2,1H3
InChIKeyIOPAWTDJMUKCAD-UHFFFAOYSA-N
XLogP2.71
TPSA95.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.00
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperazin-1-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one?
The IUPAC name of 6-[4-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperazin-1-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one (CID 24881192) is 6-[4-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperazin-1-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one.
What is the SMILES notation for 6-[4-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperazin-1-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one?
The canonical SMILES for 6-[4-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperazin-1-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one is Cc1ncc2n1C(=O)N(N1CCN(C(=O)CCS(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC1)C2.
What is the InChIKey of 6-[4-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperazin-1-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one?
The InChIKey is IOPAWTDJMUKCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O4S/c1-16-25-14-20-15-28(23(31)29(16)20)27-9-7-26(8-10-27)22(30)6-11-34(32,33)21-5-3-17-12-19(24)4-2-18(17)13-21/h2-5,12-14H,6-11,15H2,1H3.
What are the key properties of 6-[4-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperazin-1-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one?
6-[4-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperazin-1-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one has a molecular weight of 502.00 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperazin-1-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one is sourced from PubChem (CID 24881192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).