1'-(4-nitrophenyl)sulfonylspiro[indene-1,4'-piperidine]

C19H18N2O4S — CID 10361799

IUPAC1'-(4-nitrophenyl)sulfonylspiro[indene-1,4'-piperidine]
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N2CCC3(C=Cc4ccccc43)CC2)cc1
InChIInChI=1S/C19H18N2O4S/c22-21(23)16-5-7-17(8-6-16)26(24,25)20-13-11-19(12-14-20)10-9-15-3-1-2-4-18(15)19/h1-10H,11-14H2
InChIKeyIOGOZNMOINHXJL-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.34
Rot. Bonds3

About 1'-(4-nitrophenyl)sulfonylspiro[indene-1,4'-piperidine]

1'-(4-nitrophenyl)sulfonylspiro[indene-1,4'-piperidine] (PubChem CID 10361799) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is 1'-(4-nitrophenyl)sulfonylspiro[indene-1,4'-piperidine].

Molecular Properties

Compound Name1'-(4-nitrophenyl)sulfonylspiro[indene-1,4'-piperidine]
PubChem CID10361799
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name1'-(4-nitrophenyl)sulfonylspiro[indene-1,4'-piperidine]
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N2CCC3(C=Cc4ccccc43)CC2)cc1
InChIInChI=1S/C19H18N2O4S/c22-21(23)16-5-7-17(8-6-16)26(24,25)20-13-11-19(12-14-20)10-9-15-3-1-2-4-18(15)19/h1-10H,11-14H2
InChIKeyIOGOZNMOINHXJL-UHFFFAOYSA-N
XLogP3.34
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1'-(4-nitrophenyl)sulfonylspiro[indene-1,4'-piperidine]?
The IUPAC name of 1'-(4-nitrophenyl)sulfonylspiro[indene-1,4'-piperidine] (CID 10361799) is 1'-(4-nitrophenyl)sulfonylspiro[indene-1,4'-piperidine].
What is the SMILES notation for 1'-(4-nitrophenyl)sulfonylspiro[indene-1,4'-piperidine]?
The canonical SMILES for 1'-(4-nitrophenyl)sulfonylspiro[indene-1,4'-piperidine] is O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC3(C=Cc4ccccc43)CC2)cc1.
What is the InChIKey of 1'-(4-nitrophenyl)sulfonylspiro[indene-1,4'-piperidine]?
The InChIKey is IOGOZNMOINHXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c22-21(23)16-5-7-17(8-6-16)26(24,25)20-13-11-19(12-14-20)10-9-15-3-1-2-4-18(15)19/h1-10H,11-14H2.
What are the key properties of 1'-(4-nitrophenyl)sulfonylspiro[indene-1,4'-piperidine]?
1'-(4-nitrophenyl)sulfonylspiro[indene-1,4'-piperidine] has a molecular weight of 370.43 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-nitrophenyl)sulfonylspiro[indene-1,4'-piperidine] is sourced from PubChem (CID 10361799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).