N-(3,4-dichlorophenyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide

C20H21Cl2N3O3S — CID 18004956

IUPACN-(3,4-dichlorophenyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
SMILESCS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c2ccccc21
InChIInChI=1S/C20H21Cl2N3O3S/c1-29(27,28)25-13-20(15-4-2-3-5-18(15)25)8-10-24(11-9-20)19(26)23-14-6-7-16(21)17(22)12-14/h2-7,12H,8-11,13H2,1H3,(H,23,26)
InChIKeyQPRZIOLHQZYFHB-UHFFFAOYSA-N
MW454.38 g/mol
LogP4.34
Rot. Bonds2

About N-(3,4-dichlorophenyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide

N-(3,4-dichlorophenyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide (PubChem CID 18004956) has the molecular formula C20H21Cl2N3O3S and a molecular weight of 454.38 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
PubChem CID18004956
Molecular FormulaC20H21Cl2N3O3S
Molecular Weight454.38 g/mol
Exact Mass453.07
IUPAC NameN-(3,4-dichlorophenyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
SMILESCS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c2ccccc21
InChIInChI=1S/C20H21Cl2N3O3S/c1-29(27,28)25-13-20(15-4-2-3-5-18(15)25)8-10-24(11-9-20)19(26)23-14-6-7-16(21)17(22)12-14/h2-7,12H,8-11,13H2,1H3,(H,23,26)
InChIKeyQPRZIOLHQZYFHB-UHFFFAOYSA-N
XLogP4.34
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.38
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-1-sulfamoylspiro[indoline-3,4''-piperidine]-1''-carboxamide
CID 18004942
N-(3,4-dichlorophenyl)-1-sulfamoylspiro[indoline-3,4''-piperidine]-1''-carboxamide
CID 18004995
N-[4-[3-[3-(3,4-dichlorophenyl)-2-oxoimidazolidin-1-yl]propyl]phenyl]methanesulfonamide
CID 46227003
N-(3,4-dichlorophenyl)-3-phenylpyrrolidine-1-carboxamide
CID 5065356
1-[1-(3,4-dichlorophenyl)-3-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)propyl]-3-phenylurea
CID 44536655
1-[1-(3,4-dichlorophenyl)-3-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)propyl]-3-[(1R)-1-phenylethyl]urea
CID 44536656
1-[(3,4-dichlorophenyl)methyl]-3-[1-(3,4-dichlorophenyl)-3-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)propyl]urea
CID 44536658
N-(4-butylphenyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
CID 44573574
1-methylsulfonyl-N-(2-phenylphenyl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide
CID 44573616
N-(3,4-dichlorophenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 3412463
1-[(2-chlorophenyl)methyl]-3-[1-(3,4-dichlorophenyl)-3-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)propyl]urea
CID 44536657
US8623906, Jhe-02-068A
CID 44624116

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide (CID 18004956) is N-(3,4-dichlorophenyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide is CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c2ccccc21.
What is the InChIKey of N-(3,4-dichlorophenyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The InChIKey is QPRZIOLHQZYFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O3S/c1-29(27,28)25-13-20(15-4-2-3-5-18(15)25)8-10-24(11-9-20)19(26)23-14-6-7-16(21)17(22)12-14/h2-7,12H,8-11,13H2,1H3,(H,23,26).
What are the key properties of N-(3,4-dichlorophenyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
N-(3,4-dichlorophenyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide has a molecular weight of 454.38 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 18004956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).