3-nitro-4-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)benzenesulfonamide

C25H23N3O5S — CID 108773029

IUPAC3-nitro-4-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCC3(C=Cc4cc(-c5ccccc5)ccc4O3)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C25H23N3O5S/c26-34(31,32)21-7-8-22(23(17-21)28(29)30)27-14-12-25(13-15-27)11-10-20-16-19(6-9-24(20)33-25)18-4-2-1-3-5-18/h1-11,16-17H,12-15H2,(H2,26,31,32)
InChIKeyDOSLIDNINGILGR-UHFFFAOYSA-N
MW477.54 g/mol
LogP4.35
Rot. Bonds4

About 3-nitro-4-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)benzenesulfonamide

3-nitro-4-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)benzenesulfonamide (PubChem CID 108773029) has the molecular formula C25H23N3O5S and a molecular weight of 477.54 g/mol. Its IUPAC name is 3-nitro-4-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-nitro-4-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)benzenesulfonamide
PubChem CID108773029
Molecular FormulaC25H23N3O5S
Molecular Weight477.54 g/mol
Exact Mass477.14
IUPAC Name3-nitro-4-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCC3(C=Cc4cc(-c5ccccc5)ccc4O3)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C25H23N3O5S/c26-34(31,32)21-7-8-22(23(17-21)28(29)30)27-14-12-25(13-15-27)11-10-20-16-19(6-9-24(20)33-25)18-4-2-1-3-5-18/h1-11,16-17H,12-15H2,(H2,26,31,32)
InChIKeyDOSLIDNINGILGR-UHFFFAOYSA-N
XLogP4.35
TPSA115.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

5-nitro-6-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)pyrimidin-4-amine
CID 108773037
1'-tert-butyl-6-(4-methylsulfonylphenyl)spiro[chromene-2,4'-piperidine]
CID 172826775
(2-bromophenyl)-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)methanone
CID 108754025
N,N-diethyl-6-phenylspiro[chromene-2,4'-piperidine]-1'-carboxamide
CID 108730414
3-nitro-4-(4-oxo-6-propan-2-yloxyspiro[3H-chromene-2,4'-piperidine]-1'-yl)benzenesulfonamide
CID 171358246
4-(7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-3-nitrobenzenesulfonamide
CID 108774544
4-(4-ethylpiperazin-1-yl)-3-nitrobenzenesulfonamide
CID 26455707
1'-(6-chloro-2-ethylpyrimidin-4-yl)-6-phenylspiro[chromene-2,4'-piperidine]
CID 108773061
1-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]-2-(4-phenylphenyl)ethanone
CID 46478705
3-(6-phenylspiro[chromene-2,4'-piperidine]-1'-carbonyl)benzonitrile
CID 108730474
4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-nitrobenzenesulfonamide
CID 9111962
3-nitro-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzenesulfonamide
CID 4841617

Frequently Asked Questions

What is the IUPAC name of 3-nitro-4-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)benzenesulfonamide?
The IUPAC name of 3-nitro-4-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)benzenesulfonamide (CID 108773029) is 3-nitro-4-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)benzenesulfonamide.
What is the SMILES notation for 3-nitro-4-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)benzenesulfonamide?
The canonical SMILES for 3-nitro-4-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(N2CCC3(C=Cc4cc(-c5ccccc5)ccc4O3)CC2)c([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-4-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)benzenesulfonamide?
The InChIKey is DOSLIDNINGILGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5S/c26-34(31,32)21-7-8-22(23(17-21)28(29)30)27-14-12-25(13-15-27)11-10-20-16-19(6-9-24(20)33-25)18-4-2-1-3-5-18/h1-11,16-17H,12-15H2,(H2,26,31,32).
What are the key properties of 3-nitro-4-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)benzenesulfonamide?
3-nitro-4-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)benzenesulfonamide has a molecular weight of 477.54 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-4-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)benzenesulfonamide is sourced from PubChem (CID 108773029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).