6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-(fluoromethyl)-7H-imidazo[1,5-c]imidazol-5-one

C24H24ClFN4O5S — CID 66854187

IUPAC6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-(fluoromethyl)-7H-imidazo[1,5-c]imidazol-5-one
SMILESO=C([C@H](O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2Cc3cnc(CF)n3C2=O)CC1
InChIInChI=1S/C24H24ClFN4O5S/c25-17-3-1-16-10-20(4-2-15(16)9-17)36(34,35)14-21(31)23(32)28-7-5-18(6-8-28)29-13-19-12-27-22(11-26)30(19)24(29)33/h1-4,9-10,12,18,21,31H,5-8,11,13-14H2/t21-/m1/s1
InChIKeyPCKFUYSVGMHOKR-OAQYLSRUSA-N
MW535.00 g/mol
LogP2.77
Rot. Bonds6

About 6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-(fluoromethyl)-7H-imidazo[1,5-c]imidazol-5-one

6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-(fluoromethyl)-7H-imidazo[1,5-c]imidazol-5-one (PubChem CID 66854187) has the molecular formula C24H24ClFN4O5S and a molecular weight of 535.00 g/mol. Its IUPAC name is 6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-(fluoromethyl)-7H-imidazo[1,5-c]imidazol-5-one.

Molecular Properties

Compound Name6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-(fluoromethyl)-7H-imidazo[1,5-c]imidazol-5-one
PubChem CID66854187
Molecular FormulaC24H24ClFN4O5S
Molecular Weight535.00 g/mol
Exact Mass534.11
IUPAC Name6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-(fluoromethyl)-7H-imidazo[1,5-c]imidazol-5-one
SMILESO=C([C@H](O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2Cc3cnc(CF)n3C2=O)CC1
InChIInChI=1S/C24H24ClFN4O5S/c25-17-3-1-16-10-20(4-2-15(16)9-17)36(34,35)14-21(31)23(32)28-7-5-18(6-8-28)29-13-19-12-27-22(11-26)30(19)24(29)33/h1-4,9-10,12,18,21,31H,5-8,11,13-14H2/t21-/m1/s1
InChIKeyPCKFUYSVGMHOKR-OAQYLSRUSA-N
XLogP2.77
TPSA112.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.00
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-(fluoromethyl)-7H-imidazo[1,5-c]imidazol-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-(fluoromethyl)-7H-imidazo[1,5-c]imidazol-5-one?
The IUPAC name of 6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-(fluoromethyl)-7H-imidazo[1,5-c]imidazol-5-one (CID 66854187) is 6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-(fluoromethyl)-7H-imidazo[1,5-c]imidazol-5-one.
What is the SMILES notation for 6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-(fluoromethyl)-7H-imidazo[1,5-c]imidazol-5-one?
The canonical SMILES for 6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-(fluoromethyl)-7H-imidazo[1,5-c]imidazol-5-one is O=C([C@H](O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2Cc3cnc(CF)n3C2=O)CC1.
What is the InChIKey of 6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-(fluoromethyl)-7H-imidazo[1,5-c]imidazol-5-one?
The InChIKey is PCKFUYSVGMHOKR-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H24ClFN4O5S/c25-17-3-1-16-10-20(4-2-15(16)9-17)36(34,35)14-21(31)23(32)28-7-5-18(6-8-28)29-13-19-12-27-22(11-26)30(19)24(29)33/h1-4,9-10,12,18,21,31H,5-8,11,13-14H2/t21-/m1/s1.
What are the key properties of 6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-(fluoromethyl)-7H-imidazo[1,5-c]imidazol-5-one?
6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-(fluoromethyl)-7H-imidazo[1,5-c]imidazol-5-one has a molecular weight of 535.00 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-(fluoromethyl)-7H-imidazo[1,5-c]imidazol-5-one is sourced from PubChem (CID 66854187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).