N-benzyl-2-(2,4-dichlorophenyl)sulfonyl-2,6-diazaspiro[3.3]heptane-6-carboxamide

C19H19Cl2N3O3S — CID 71521166

IUPACN-benzyl-2-(2,4-dichlorophenyl)sulfonyl-2,6-diazaspiro[3.3]heptane-6-carboxamide
SMILESO=C(NCc1ccccc1)N1CC2(C1)CN(S(=O)(=O)c1ccc(Cl)cc1Cl)C2
InChIInChI=1S/C19H19Cl2N3O3S/c20-15-6-7-17(16(21)8-15)28(26,27)24-12-19(13-24)10-23(11-19)18(25)22-9-14-4-2-1-3-5-14/h1-8H,9-13H2,(H,22,25)
InChIKeyIMFFUGYDOIEFSY-UHFFFAOYSA-N
MW440.35 g/mol
LogP3.21
Rot. Bonds4

About N-benzyl-2-(2,4-dichlorophenyl)sulfonyl-2,6-diazaspiro[3.3]heptane-6-carboxamide

N-benzyl-2-(2,4-dichlorophenyl)sulfonyl-2,6-diazaspiro[3.3]heptane-6-carboxamide (PubChem CID 71521166) has the molecular formula C19H19Cl2N3O3S and a molecular weight of 440.35 g/mol. Its IUPAC name is N-benzyl-2-(2,4-dichlorophenyl)sulfonyl-2,6-diazaspiro[3.3]heptane-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(2,4-dichlorophenyl)sulfonyl-2,6-diazaspiro[3.3]heptane-6-carboxamide
PubChem CID71521166
Molecular FormulaC19H19Cl2N3O3S
Molecular Weight440.35 g/mol
Exact Mass439.05
IUPAC NameN-benzyl-2-(2,4-dichlorophenyl)sulfonyl-2,6-diazaspiro[3.3]heptane-6-carboxamide
SMILESO=C(NCc1ccccc1)N1CC2(C1)CN(S(=O)(=O)c1ccc(Cl)cc1Cl)C2
InChIInChI=1S/C19H19Cl2N3O3S/c20-15-6-7-17(16(21)8-15)28(26,27)24-12-19(13-24)10-23(11-19)18(25)22-9-14-4-2-1-3-5-14/h1-8H,9-13H2,(H,22,25)
InChIKeyIMFFUGYDOIEFSY-UHFFFAOYSA-N
XLogP3.21
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2,4-dichlorophenyl)sulfonyl-2,6-diazaspiro[3.3]heptane-6-carboxamide?
The IUPAC name of N-benzyl-2-(2,4-dichlorophenyl)sulfonyl-2,6-diazaspiro[3.3]heptane-6-carboxamide (CID 71521166) is N-benzyl-2-(2,4-dichlorophenyl)sulfonyl-2,6-diazaspiro[3.3]heptane-6-carboxamide.
What is the SMILES notation for N-benzyl-2-(2,4-dichlorophenyl)sulfonyl-2,6-diazaspiro[3.3]heptane-6-carboxamide?
The canonical SMILES for N-benzyl-2-(2,4-dichlorophenyl)sulfonyl-2,6-diazaspiro[3.3]heptane-6-carboxamide is O=C(NCc1ccccc1)N1CC2(C1)CN(S(=O)(=O)c1ccc(Cl)cc1Cl)C2.
What is the InChIKey of N-benzyl-2-(2,4-dichlorophenyl)sulfonyl-2,6-diazaspiro[3.3]heptane-6-carboxamide?
The InChIKey is IMFFUGYDOIEFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O3S/c20-15-6-7-17(16(21)8-15)28(26,27)24-12-19(13-24)10-23(11-19)18(25)22-9-14-4-2-1-3-5-14/h1-8H,9-13H2,(H,22,25).
What are the key properties of N-benzyl-2-(2,4-dichlorophenyl)sulfonyl-2,6-diazaspiro[3.3]heptane-6-carboxamide?
N-benzyl-2-(2,4-dichlorophenyl)sulfonyl-2,6-diazaspiro[3.3]heptane-6-carboxamide has a molecular weight of 440.35 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2,4-dichlorophenyl)sulfonyl-2,6-diazaspiro[3.3]heptane-6-carboxamide is sourced from PubChem (CID 71521166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).