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

C19H18Cl3N3O3S — CID 71554977

IUPAC6-(4-chlorophenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)N1CCC12CN(S(=O)(=O)c1ccc(Cl)cc1)C2
InChIInChI=1S/C19H18Cl3N3O3S/c20-14-3-5-16(6-4-14)29(27,28)24-11-19(12-24)7-8-25(19)18(26)23-10-13-1-2-15(21)9-17(13)22/h1-6,9H,7-8,10-12H2,(H,23,26)
InChIKeyCLMMUGZVUGYNFW-UHFFFAOYSA-N
MW474.80 g/mol
LogP4.01
Rot. Bonds4

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

6-(4-chlorophenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-1-carboxamide (PubChem CID 71554977) has the molecular formula C19H18Cl3N3O3S and a molecular weight of 474.80 g/mol. Its IUPAC name is 6-(4-chlorophenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-1-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-1-carboxamide
PubChem CID71554977
Molecular FormulaC19H18Cl3N3O3S
Molecular Weight474.80 g/mol
Exact Mass473.01
IUPAC Name6-(4-chlorophenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)N1CCC12CN(S(=O)(=O)c1ccc(Cl)cc1)C2
InChIInChI=1S/C19H18Cl3N3O3S/c20-14-3-5-16(6-4-14)29(27,28)24-11-19(12-24)7-8-25(19)18(26)23-10-13-1-2-15(21)9-17(13)22/h1-6,9H,7-8,10-12H2,(H,23,26)
InChIKeyCLMMUGZVUGYNFW-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 6-(4-chlorophenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-1-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-1-carboxamide (CID 71554977) is 6-(4-chlorophenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-1-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-1-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-1-carboxamide is O=C(NCc1ccc(Cl)cc1Cl)N1CCC12CN(S(=O)(=O)c1ccc(Cl)cc1)C2.
What is the InChIKey of 6-(4-chlorophenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-1-carboxamide?
The InChIKey is CLMMUGZVUGYNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl3N3O3S/c20-14-3-5-16(6-4-14)29(27,28)24-11-19(12-24)7-8-25(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 6-(4-chlorophenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-1-carboxamide?
6-(4-chlorophenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-1-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 6-(4-chlorophenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]-1,6-diazaspiro[3.3]heptane-1-carboxamide is sourced from PubChem (CID 71554977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).