1-(4-chlorophenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-6-carboxamide

C19H18Cl3N3O3S — CID 71555048

IUPAC1-(4-chlorophenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-6-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)N1CC2(CCN2S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H18Cl3N3O3S/c20-14-3-5-16(6-4-14)29(27,28)25-8-7-19(25)11-24(12-19)18(26)23-10-13-1-2-15(21)9-17(13)22/h1-6,9H,7-8,10-12H2,(H,23,26)
InChIKeyDYPTUQGUBVURPW-UHFFFAOYSA-N
MW474.80 g/mol
LogP4.01
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-6-carboxamide

1-(4-chlorophenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-6-carboxamide (PubChem CID 71555048) has the molecular formula C19H18Cl3N3O3S and a molecular weight of 474.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-6-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-6-carboxamide
PubChem CID71555048
Molecular FormulaC19H18Cl3N3O3S
Molecular Weight474.80 g/mol
Exact Mass473.01
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-6-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)N1CC2(CCN2S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H18Cl3N3O3S/c20-14-3-5-16(6-4-14)29(27,28)25-8-7-19(25)11-24(12-19)18(26)23-10-13-1-2-15(21)9-17(13)22/h1-6,9H,7-8,10-12H2,(H,23,26)
InChIKeyDYPTUQGUBVURPW-UHFFFAOYSA-N
XLogP4.01
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.80
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-6-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-6-carboxamide (CID 71555048) is 1-(4-chlorophenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-6-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-6-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-6-carboxamide is O=C(NCc1ccc(Cl)cc1Cl)N1CC2(CCN2S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-6-carboxamide?
The InChIKey is DYPTUQGUBVURPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl3N3O3S/c20-14-3-5-16(6-4-14)29(27,28)25-8-7-19(25)11-24(12-19)18(26)23-10-13-1-2-15(21)9-17(13)22/h1-6,9H,7-8,10-12H2,(H,23,26).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-6-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-6-carboxamide has a molecular weight of 474.80 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-6-carboxamide is sourced from PubChem (CID 71555048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).