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

C24H23ClF2N4O5S — CID 66853068

IUPAC6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-(difluoromethyl)-7H-imidazo[1,5-c]imidazol-5-one
SMILESO=C([C@H](O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2Cc3cnc(C(F)F)n3C2=O)CC1
InChIInChI=1S/C24H23ClF2N4O5S/c25-16-3-1-15-10-19(4-2-14(15)9-16)37(35,36)13-20(32)23(33)29-7-5-17(6-8-29)30-12-18-11-28-22(21(26)27)31(18)24(30)34/h1-4,9-11,17,20-21,32H,5-8,12-13H2/t20-/m1/s1
InChIKeyQILZJQQLLLFAIJ-HXUWFJFHSA-N
MW552.99 g/mol
LogP3.24
Rot. Bonds6

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

6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-(difluoromethyl)-7H-imidazo[1,5-c]imidazol-5-one (PubChem CID 66853068) has the molecular formula C24H23ClF2N4O5S and a molecular weight of 552.99 g/mol. Its IUPAC name is 6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-(difluoromethyl)-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-(difluoromethyl)-7H-imidazo[1,5-c]imidazol-5-one
PubChem CID66853068
Molecular FormulaC24H23ClF2N4O5S
Molecular Weight552.99 g/mol
Exact Mass552.10
IUPAC Name6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-(difluoromethyl)-7H-imidazo[1,5-c]imidazol-5-one
SMILESO=C([C@H](O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2Cc3cnc(C(F)F)n3C2=O)CC1
InChIInChI=1S/C24H23ClF2N4O5S/c25-16-3-1-15-10-19(4-2-14(15)9-16)37(35,36)13-20(32)23(33)29-7-5-17(6-8-29)30-12-18-11-28-22(21(26)27)31(18)24(30)34/h1-4,9-11,17,20-21,32H,5-8,12-13H2/t20-/m1/s1
InChIKeyQILZJQQLLLFAIJ-HXUWFJFHSA-N
XLogP3.24
TPSA112.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.99
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-(difluoromethyl)-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-(difluoromethyl)-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-(difluoromethyl)-7H-imidazo[1,5-c]imidazol-5-one (CID 66853068) is 6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-(difluoromethyl)-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-(difluoromethyl)-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-(difluoromethyl)-7H-imidazo[1,5-c]imidazol-5-one is O=C([C@H](O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2Cc3cnc(C(F)F)n3C2=O)CC1.
What is the InChIKey of 6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-(difluoromethyl)-7H-imidazo[1,5-c]imidazol-5-one?
The InChIKey is QILZJQQLLLFAIJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H23ClF2N4O5S/c25-16-3-1-15-10-19(4-2-14(15)9-16)37(35,36)13-20(32)23(33)29-7-5-17(6-8-29)30-12-18-11-28-22(21(26)27)31(18)24(30)34/h1-4,9-11,17,20-21,32H,5-8,12-13H2/t20-/m1/s1.
What are the key properties of 6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-(difluoromethyl)-7H-imidazo[1,5-c]imidazol-5-one?
6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-(difluoromethyl)-7H-imidazo[1,5-c]imidazol-5-one has a molecular weight of 552.99 g/mol, XLogP of 3.24, 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-(difluoromethyl)-7H-imidazo[1,5-c]imidazol-5-one is sourced from PubChem (CID 66853068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).