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

C19H20Cl2N4O3S — CID 18004995

IUPACN-(3,4-dichlorophenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
SMILESNS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c2ccccc21
InChIInChI=1S/C19H20Cl2N4O3S/c20-15-6-5-13(11-16(15)21)23-18(26)24-9-7-19(8-10-24)12-25(29(22,27)28)17-4-2-1-3-14(17)19/h1-6,11H,7-10,12H2,(H,23,26)(H2,22,27,28)
InChIKeyNJOSDSROZMAYPH-UHFFFAOYSA-N
MW455.37 g/mol
LogP3.58
Rot. Bonds2

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

N-(3,4-dichlorophenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide (PubChem CID 18004995) has the molecular formula C19H20Cl2N4O3S and a molecular weight of 455.37 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
PubChem CID18004995
Molecular FormulaC19H20Cl2N4O3S
Molecular Weight455.37 g/mol
Exact Mass454.06
IUPAC NameN-(3,4-dichlorophenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
SMILESNS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c2ccccc21
InChIInChI=1S/C19H20Cl2N4O3S/c20-15-6-5-13(11-16(15)21)23-18(26)24-9-7-19(8-10-24)12-25(29(22,27)28)17-4-2-1-3-14(17)19/h1-6,11H,7-10,12H2,(H,23,26)(H2,22,27,28)
InChIKeyNJOSDSROZMAYPH-UHFFFAOYSA-N
XLogP3.58
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.37
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide (CID 18004995) is N-(3,4-dichlorophenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide is NS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c2ccccc21.
What is the InChIKey of N-(3,4-dichlorophenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The InChIKey is NJOSDSROZMAYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N4O3S/c20-15-6-5-13(11-16(15)21)23-18(26)24-9-7-19(8-10-24)12-25(29(22,27)28)17-4-2-1-3-14(17)19/h1-6,11H,7-10,12H2,(H,23,26)(H2,22,27,28).
What are the key properties of N-(3,4-dichlorophenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
N-(3,4-dichlorophenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide has a molecular weight of 455.37 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 18004995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).