N-benzyl-4-chloro-N-(2-chlorophenyl)-3-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carbonyl)benzenesulfonamide

C31H25Cl2N3O4S — CID 166346484

IUPACN-benzyl-4-chloro-N-(2-chlorophenyl)-3-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carbonyl)benzenesulfonamide
SMILESO=C(c1cc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)ccc1Cl)N1CCC2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C31H25Cl2N3O4S/c32-25-15-14-22(41(39,40)36(19-21-8-2-1-3-9-21)28-13-7-5-11-26(28)33)18-23(25)29(37)35-17-16-31(20-35)24-10-4-6-12-27(24)34-30(31)38/h1-15,18H,16-17,19-20H2,(H,34,38)
InChIKeyLCVWUDRWWUHKSG-UHFFFAOYSA-N
MW606.53 g/mol
LogP6.12
Rot. Bonds6

About N-benzyl-4-chloro-N-(2-chlorophenyl)-3-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carbonyl)benzenesulfonamide

N-benzyl-4-chloro-N-(2-chlorophenyl)-3-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carbonyl)benzenesulfonamide (PubChem CID 166346484) has the molecular formula C31H25Cl2N3O4S and a molecular weight of 606.53 g/mol. Its IUPAC name is N-benzyl-4-chloro-N-(2-chlorophenyl)-3-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-chloro-N-(2-chlorophenyl)-3-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carbonyl)benzenesulfonamide
PubChem CID166346484
Molecular FormulaC31H25Cl2N3O4S
Molecular Weight606.53 g/mol
Exact Mass605.09
IUPAC NameN-benzyl-4-chloro-N-(2-chlorophenyl)-3-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carbonyl)benzenesulfonamide
SMILESO=C(c1cc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)ccc1Cl)N1CCC2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C31H25Cl2N3O4S/c32-25-15-14-22(41(39,40)36(19-21-8-2-1-3-9-21)28-13-7-5-11-26(28)33)18-23(25)29(37)35-17-16-31(20-35)24-10-4-6-12-27(24)34-30(31)38/h1-15,18H,16-17,19-20H2,(H,34,38)
InChIKeyLCVWUDRWWUHKSG-UHFFFAOYSA-N
XLogP6.12
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.53
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-chloro-N-(2-chlorophenyl)-3-(7-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)benzenesulfonamide
CID 166353479
N-benzyl-4-chloro-N-(2-chlorophenyl)-3-[3-(1H-indol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 166352880
N-benzyl-N-(2-chlorophenyl)-3-(4-oxopiperidine-1-carbonyl)benzenesulfonamide
CID 17438653
1'-(2-chloro-4-fluorobenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 56904113
1'-(3-chlorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53176932
benzyl (3S)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 102192246
2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 154879377
1'-(2-methoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53176926
(3S)-1'-(4-fluorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103577
1'-(2-ethyl-6-oxo-1H-pyridine-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 162633325
(3R)-1'-(2,4-dimethoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103581
N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-5-[benzyl-(2-chlorophenyl)sulfamoyl]-2-chlorobenzamide
CID 166346468

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-chloro-N-(2-chlorophenyl)-3-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carbonyl)benzenesulfonamide?
The IUPAC name of N-benzyl-4-chloro-N-(2-chlorophenyl)-3-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carbonyl)benzenesulfonamide (CID 166346484) is N-benzyl-4-chloro-N-(2-chlorophenyl)-3-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-chloro-N-(2-chlorophenyl)-3-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carbonyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-4-chloro-N-(2-chlorophenyl)-3-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carbonyl)benzenesulfonamide is O=C(c1cc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)ccc1Cl)N1CCC2(C1)C(=O)Nc1ccccc12.
What is the InChIKey of N-benzyl-4-chloro-N-(2-chlorophenyl)-3-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carbonyl)benzenesulfonamide?
The InChIKey is LCVWUDRWWUHKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25Cl2N3O4S/c32-25-15-14-22(41(39,40)36(19-21-8-2-1-3-9-21)28-13-7-5-11-26(28)33)18-23(25)29(37)35-17-16-31(20-35)24-10-4-6-12-27(24)34-30(31)38/h1-15,18H,16-17,19-20H2,(H,34,38).
What are the key properties of N-benzyl-4-chloro-N-(2-chlorophenyl)-3-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carbonyl)benzenesulfonamide?
N-benzyl-4-chloro-N-(2-chlorophenyl)-3-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carbonyl)benzenesulfonamide has a molecular weight of 606.53 g/mol, XLogP of 6.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-chloro-N-(2-chlorophenyl)-3-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carbonyl)benzenesulfonamide is sourced from PubChem (CID 166346484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).