(2R)-2-amino-2-(4-chlorophenyl)-1-[2-[4-(difluoromethoxy)phenyl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]ethanone

C20H17ClF2N4O4S — CID 156875707

IUPAC(2R)-2-amino-2-(4-chlorophenyl)-1-[2-[4-(difluoromethoxy)phenyl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]ethanone
SMILESN[C@@H](C(=O)N1Cc2cn(S(=O)(=O)c3ccc(OC(F)F)cc3)nc2C1)c1ccc(Cl)cc1
InChIInChI=1S/C20H17ClF2N4O4S/c21-14-3-1-12(2-4-14)18(24)19(28)26-9-13-10-27(25-17(13)11-26)32(29,30)16-7-5-15(6-8-16)31-20(22)23/h1-8,10,18,20H,9,11,24H2/t18-/m1/s1
InChIKeyUZYJJYLLAIFUCJ-GOSISDBHSA-N
MW482.90 g/mol
LogP2.92
Rot. Bonds6

About (2R)-2-amino-2-(4-chlorophenyl)-1-[2-[4-(difluoromethoxy)phenyl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]ethanone

(2R)-2-amino-2-(4-chlorophenyl)-1-[2-[4-(difluoromethoxy)phenyl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]ethanone (PubChem CID 156875707) has the molecular formula C20H17ClF2N4O4S and a molecular weight of 482.90 g/mol. Its IUPAC name is (2R)-2-amino-2-(4-chlorophenyl)-1-[2-[4-(difluoromethoxy)phenyl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]ethanone.

Molecular Properties

Compound Name(2R)-2-amino-2-(4-chlorophenyl)-1-[2-[4-(difluoromethoxy)phenyl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]ethanone
PubChem CID156875707
Molecular FormulaC20H17ClF2N4O4S
Molecular Weight482.90 g/mol
Exact Mass482.06
IUPAC Name(2R)-2-amino-2-(4-chlorophenyl)-1-[2-[4-(difluoromethoxy)phenyl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]ethanone
SMILESN[C@@H](C(=O)N1Cc2cn(S(=O)(=O)c3ccc(OC(F)F)cc3)nc2C1)c1ccc(Cl)cc1
InChIInChI=1S/C20H17ClF2N4O4S/c21-14-3-1-12(2-4-14)18(24)19(28)26-9-13-10-27(25-17(13)11-26)32(29,30)16-7-5-15(6-8-16)31-20(22)23/h1-8,10,18,20H,9,11,24H2/t18-/m1/s1
InChIKeyUZYJJYLLAIFUCJ-GOSISDBHSA-N
XLogP2.92
TPSA107.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.90
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(4-chlorophenyl)-1-[2-[4-(difluoromethoxy)phenyl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]ethanone?
The IUPAC name of (2R)-2-amino-2-(4-chlorophenyl)-1-[2-[4-(difluoromethoxy)phenyl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]ethanone (CID 156875707) is (2R)-2-amino-2-(4-chlorophenyl)-1-[2-[4-(difluoromethoxy)phenyl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]ethanone.
What is the SMILES notation for (2R)-2-amino-2-(4-chlorophenyl)-1-[2-[4-(difluoromethoxy)phenyl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]ethanone?
The canonical SMILES for (2R)-2-amino-2-(4-chlorophenyl)-1-[2-[4-(difluoromethoxy)phenyl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]ethanone is N[C@@H](C(=O)N1Cc2cn(S(=O)(=O)c3ccc(OC(F)F)cc3)nc2C1)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-amino-2-(4-chlorophenyl)-1-[2-[4-(difluoromethoxy)phenyl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]ethanone?
The InChIKey is UZYJJYLLAIFUCJ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H17ClF2N4O4S/c21-14-3-1-12(2-4-14)18(24)19(28)26-9-13-10-27(25-17(13)11-26)32(29,30)16-7-5-15(6-8-16)31-20(22)23/h1-8,10,18,20H,9,11,24H2/t18-/m1/s1.
What are the key properties of (2R)-2-amino-2-(4-chlorophenyl)-1-[2-[4-(difluoromethoxy)phenyl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]ethanone?
(2R)-2-amino-2-(4-chlorophenyl)-1-[2-[4-(difluoromethoxy)phenyl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]ethanone has a molecular weight of 482.90 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(4-chlorophenyl)-1-[2-[4-(difluoromethoxy)phenyl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]ethanone is sourced from PubChem (CID 156875707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).