N-[4-[1-[(1R)-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl]cyclopropyl]phenyl]benzenesulfonamide

C27H24N2O5S — CID 66662604

IUPACN-[4-[1-[(1R)-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl]cyclopropyl]phenyl]benzenesulfonamide
SMILESO=C1O[C@]2(CCN(C(=O)C3(c4ccc(NS(=O)(=O)c5ccccc5)cc4)CC3)C2)c2ccccc21
InChIInChI=1S/C27H24N2O5S/c30-24-22-8-4-5-9-23(22)27(34-24)16-17-29(18-27)25(31)26(14-15-26)19-10-12-20(13-11-19)28-35(32,33)21-6-2-1-3-7-21/h1-13,28H,14-18H2/t27-/m0/s1
InChIKeyAREWKUALYOCRQU-MHZLTWQESA-N
MW488.57 g/mol
LogP3.82
Rot. Bonds5

About N-[4-[1-[(1R)-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl]cyclopropyl]phenyl]benzenesulfonamide

N-[4-[1-[(1R)-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl]cyclopropyl]phenyl]benzenesulfonamide (PubChem CID 66662604) has the molecular formula C27H24N2O5S and a molecular weight of 488.57 g/mol. Its IUPAC name is N-[4-[1-[(1R)-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl]cyclopropyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[1-[(1R)-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl]cyclopropyl]phenyl]benzenesulfonamide
PubChem CID66662604
Molecular FormulaC27H24N2O5S
Molecular Weight488.57 g/mol
Exact Mass488.14
IUPAC NameN-[4-[1-[(1R)-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl]cyclopropyl]phenyl]benzenesulfonamide
SMILESO=C1O[C@]2(CCN(C(=O)C3(c4ccc(NS(=O)(=O)c5ccccc5)cc4)CC3)C2)c2ccccc21
InChIInChI=1S/C27H24N2O5S/c30-24-22-8-4-5-9-23(22)27(34-24)16-17-29(18-27)25(31)26(14-15-26)19-10-12-20(13-11-19)28-35(32,33)21-6-2-1-3-7-21/h1-13,28H,14-18H2/t27-/m0/s1
InChIKeyAREWKUALYOCRQU-MHZLTWQESA-N
XLogP3.82
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[(1R)-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl]cyclopropyl]phenyl]benzenesulfonamide?
The IUPAC name of N-[4-[1-[(1R)-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl]cyclopropyl]phenyl]benzenesulfonamide (CID 66662604) is N-[4-[1-[(1R)-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl]cyclopropyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-[1-[(1R)-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl]cyclopropyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-[1-[(1R)-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl]cyclopropyl]phenyl]benzenesulfonamide is O=C1O[C@]2(CCN(C(=O)C3(c4ccc(NS(=O)(=O)c5ccccc5)cc4)CC3)C2)c2ccccc21.
What is the InChIKey of N-[4-[1-[(1R)-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl]cyclopropyl]phenyl]benzenesulfonamide?
The InChIKey is AREWKUALYOCRQU-MHZLTWQESA-N. The full InChI is InChI=1S/C27H24N2O5S/c30-24-22-8-4-5-9-23(22)27(34-24)16-17-29(18-27)25(31)26(14-15-26)19-10-12-20(13-11-19)28-35(32,33)21-6-2-1-3-7-21/h1-13,28H,14-18H2/t27-/m0/s1.
What are the key properties of N-[4-[1-[(1R)-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl]cyclopropyl]phenyl]benzenesulfonamide?
N-[4-[1-[(1R)-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl]cyclopropyl]phenyl]benzenesulfonamide has a molecular weight of 488.57 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[(1R)-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl]cyclopropyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 66662604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).