[1-(4-chlorophenyl)sulfonyl-1,6-diazaspiro[3.3]heptan-6-yl] N-[(2,4-dichlorophenyl)methyl]carbamate

C19H18Cl3N3O4S — CID 121300167

IUPAC[1-(4-chlorophenyl)sulfonyl-1,6-diazaspiro[3.3]heptan-6-yl] N-[(2,4-dichlorophenyl)methyl]carbamate
SMILESO=C(NCc1ccc(Cl)cc1Cl)ON1CC2(CCN2S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H18Cl3N3O4S/c20-14-3-5-16(6-4-14)30(27,28)25-8-7-19(25)11-24(12-19)29-18(26)23-10-13-1-2-15(21)9-17(13)22/h1-6,9H,7-8,10-12H2,(H,23,26)
InChIKeyHZIRSFNNSOTZGN-UHFFFAOYSA-N
MW490.80 g/mol
LogP3.94
Rot. Bonds5

About [1-(4-chlorophenyl)sulfonyl-1,6-diazaspiro[3.3]heptan-6-yl] N-[(2,4-dichlorophenyl)methyl]carbamate

[1-(4-chlorophenyl)sulfonyl-1,6-diazaspiro[3.3]heptan-6-yl] N-[(2,4-dichlorophenyl)methyl]carbamate (PubChem CID 121300167) has the molecular formula C19H18Cl3N3O4S and a molecular weight of 490.80 g/mol. Its IUPAC name is [1-(4-chlorophenyl)sulfonyl-1,6-diazaspiro[3.3]heptan-6-yl] N-[(2,4-dichlorophenyl)methyl]carbamate.

Molecular Properties

Compound Name[1-(4-chlorophenyl)sulfonyl-1,6-diazaspiro[3.3]heptan-6-yl] N-[(2,4-dichlorophenyl)methyl]carbamate
PubChem CID121300167
Molecular FormulaC19H18Cl3N3O4S
Molecular Weight490.80 g/mol
Exact Mass489.01
IUPAC Name[1-(4-chlorophenyl)sulfonyl-1,6-diazaspiro[3.3]heptan-6-yl] N-[(2,4-dichlorophenyl)methyl]carbamate
SMILESO=C(NCc1ccc(Cl)cc1Cl)ON1CC2(CCN2S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H18Cl3N3O4S/c20-14-3-5-16(6-4-14)30(27,28)25-8-7-19(25)11-24(12-19)29-18(26)23-10-13-1-2-15(21)9-17(13)22/h1-6,9H,7-8,10-12H2,(H,23,26)
InChIKeyHZIRSFNNSOTZGN-UHFFFAOYSA-N
XLogP3.94
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.80
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 71554976
CID 71554976
CID 71554977
CID 71554977
CID 71555048
CID 71555048
CID 89531963
CID 89531963
CID 117670653
CID 117670653
CID 121300163
CID 121300163
CID 121300172
CID 121300172
CID 121300173
CID 121300173
CID 142769108
CID 142769108

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)sulfonyl-1,6-diazaspiro[3.3]heptan-6-yl] N-[(2,4-dichlorophenyl)methyl]carbamate?
The IUPAC name of [1-(4-chlorophenyl)sulfonyl-1,6-diazaspiro[3.3]heptan-6-yl] N-[(2,4-dichlorophenyl)methyl]carbamate (CID 121300167) is [1-(4-chlorophenyl)sulfonyl-1,6-diazaspiro[3.3]heptan-6-yl] N-[(2,4-dichlorophenyl)methyl]carbamate.
What is the SMILES notation for [1-(4-chlorophenyl)sulfonyl-1,6-diazaspiro[3.3]heptan-6-yl] N-[(2,4-dichlorophenyl)methyl]carbamate?
The canonical SMILES for [1-(4-chlorophenyl)sulfonyl-1,6-diazaspiro[3.3]heptan-6-yl] N-[(2,4-dichlorophenyl)methyl]carbamate is O=C(NCc1ccc(Cl)cc1Cl)ON1CC2(CCN2S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of [1-(4-chlorophenyl)sulfonyl-1,6-diazaspiro[3.3]heptan-6-yl] N-[(2,4-dichlorophenyl)methyl]carbamate?
The InChIKey is HZIRSFNNSOTZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl3N3O4S/c20-14-3-5-16(6-4-14)30(27,28)25-8-7-19(25)11-24(12-19)29-18(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-1,6-diazaspiro[3.3]heptan-6-yl] N-[(2,4-dichlorophenyl)methyl]carbamate?
[1-(4-chlorophenyl)sulfonyl-1,6-diazaspiro[3.3]heptan-6-yl] N-[(2,4-dichlorophenyl)methyl]carbamate has a molecular weight of 490.80 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)sulfonyl-1,6-diazaspiro[3.3]heptan-6-yl] N-[(2,4-dichlorophenyl)methyl]carbamate is sourced from PubChem (CID 121300167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).