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

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

6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-2-(difluoromethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one (PubChem CID 66853069) has the molecular formula C24H25ClF2N4O5S and a molecular weight of 555.00 g/mol. Its IUPAC name is 6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-2-(difluoromethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one.

Molecular Properties

Compound Name	6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-2-(difluoromethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one
PubChem CID	66853069
Molecular Formula	C24H25ClF2N4O5S
Molecular Weight	555.00 g/mol
Exact Mass	554.12
IUPAC Name	6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-2-(difluoromethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one
SMILES	O=C([C@H](O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2CN3CN(C(F)F)C=C3C2=O)CC1
InChI	InChI=1S/C24H25ClF2N4O5S/c25-17-3-1-16-10-19(4-2-15(16)9-17)37(35,36)12-21(32)23(34)28-7-5-18(6-8-28)31-14-30-13-29(24(26)27)11-20(30)22(31)33/h1-4,9-11,18,21,24,32H,5-8,12-14H2/t21-/m1/s1
InChIKey	XVJCALYCRVGEDK-OAQYLSRUSA-N
XLogP	2.06
TPSA	101.47 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	6
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.00
LogP ≤ 5	2.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-2-(difluoromethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one?

The IUPAC name of 6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-2-(difluoromethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one (CID 66853069) is 6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-2-(difluoromethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one.

What is the SMILES notation for 6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-2-(difluoromethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one?

The canonical SMILES for 6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-2-(difluoromethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one is O=C([C@H](O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2CN3CN(C(F)F)C=C3C2=O)CC1.

What is the InChIKey of 6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-2-(difluoromethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one?

The InChIKey is XVJCALYCRVGEDK-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H25ClF2N4O5S/c25-17-3-1-16-10-19(4-2-15(16)9-17)37(35,36)12-21(32)23(34)28-7-5-18(6-8-28)31-14-30-13-29(24(26)27)11-20(30)22(31)33/h1-4,9-11,18,21,24,32H,5-8,12-14H2/t21-/m1/s1.

What are the key properties of 6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-2-(difluoromethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one?

6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-2-(difluoromethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one has a molecular weight of 555.00 g/mol, XLogP of 2.06, 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]-2-(difluoromethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one is sourced from PubChem (CID 66853069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).