N-(1',3',3'-trimethylspiro[3H-benzo[g][1]benzofuran-2,2'-indole]-5-yl)benzenesulfonamide

C28H26N2O3S — CID 25048163

IUPACN-(1',3',3'-trimethylspiro[3H-benzo[g][1]benzofuran-2,2'-indole]-5-yl)benzenesulfonamide
SMILESCN1c2ccccc2C(C)(C)C12Cc1cc(NS(=O)(=O)c3ccccc3)c3ccccc3c1O2
InChIInChI=1S/C28H26N2O3S/c1-27(2)23-15-9-10-16-25(23)30(3)28(27)18-19-17-24(21-13-7-8-14-22(21)26(19)33-28)29-34(31,32)20-11-5-4-6-12-20/h4-17,29H,18H2,1-3H3
InChIKeyWPNBUFUFLFNFOY-UHFFFAOYSA-N
MW470.59 g/mol
LogP5.70
Rot. Bonds3

About N-(1',3',3'-trimethylspiro[3H-benzo[g][1]benzofuran-2,2'-indole]-5-yl)benzenesulfonamide

N-(1',3',3'-trimethylspiro[3H-benzo[g][1]benzofuran-2,2'-indole]-5-yl)benzenesulfonamide (PubChem CID 25048163) has the molecular formula C28H26N2O3S and a molecular weight of 470.59 g/mol. Its IUPAC name is N-(1',3',3'-trimethylspiro[3H-benzo[g][1]benzofuran-2,2'-indole]-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1',3',3'-trimethylspiro[3H-benzo[g][1]benzofuran-2,2'-indole]-5-yl)benzenesulfonamide
PubChem CID25048163
Molecular FormulaC28H26N2O3S
Molecular Weight470.59 g/mol
Exact Mass470.17
IUPAC NameN-(1',3',3'-trimethylspiro[3H-benzo[g][1]benzofuran-2,2'-indole]-5-yl)benzenesulfonamide
SMILESCN1c2ccccc2C(C)(C)C12Cc1cc(NS(=O)(=O)c3ccccc3)c3ccccc3c1O2
InChIInChI=1S/C28H26N2O3S/c1-27(2)23-15-9-10-16-25(23)30(3)28(27)18-19-17-24(21-13-7-8-14-22(21)26(19)33-28)29-34(31,32)20-11-5-4-6-12-20/h4-17,29H,18H2,1-3H3
InChIKeyWPNBUFUFLFNFOY-UHFFFAOYSA-N
XLogP5.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.59
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1',3',3'-trimethylspiro[3H-benzo[g][1]benzofuran-2,2'-indole]-5-yl)benzenesulfonamide with MolForge

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Related Compounds

4-ethoxy-N-[(2S)-1',3',3'-trimethylspiro[3H-benzo[g][1]benzofuran-2,2'-indole]-5-yl]benzenesulfonamide
CID 2179913
3-nitro-N-(1',3',3'-trimethylspiro[3H-1-benzofuran-2,2'-indole]-5-yl)benzenesulfonamide
CID 4207675
N-[4-(benzenesulfonamido)-3-methylnaphthalen-1-yl]benzenesulfonamide
CID 518129
N-[5-(benzenesulfonamido)naphthalen-1-yl]benzenesulfonamide
CID 3389796
N-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)benzenesulfonamide
CID 5250776
5-(benzenesulfonamido)-2-methyl-N-phenylbenzo[g][1]benzofuran-3-carboxamide
CID 25037352
ethyl 5-(benzenesulfonamido)-2-phenylbenzo[g][1]benzofuran-3-carboxylate
CID 1490255
N-(2-chloro-5-morpholin-4-ylphenyl)benzenesulfonamide
CID 110362791
N-(2-methyl-5-morpholin-4-ylphenyl)benzenesulfonamide
CID 110362516
N-(2-methyl-5-piperidin-1-ylphenyl)benzenesulfonamide
CID 110362204
N-[5-(benzenesulfonamido)-7,7-diphenyl-2-bicyclo[4.1.0]hepta-1,3,5-trienyl]benzenesulfonamide
CID 134865952
N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)benzenesulfonamide
CID 40957981

Frequently Asked Questions

What is the IUPAC name of N-(1',3',3'-trimethylspiro[3H-benzo[g][1]benzofuran-2,2'-indole]-5-yl)benzenesulfonamide?
The IUPAC name of N-(1',3',3'-trimethylspiro[3H-benzo[g][1]benzofuran-2,2'-indole]-5-yl)benzenesulfonamide (CID 25048163) is N-(1',3',3'-trimethylspiro[3H-benzo[g][1]benzofuran-2,2'-indole]-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(1',3',3'-trimethylspiro[3H-benzo[g][1]benzofuran-2,2'-indole]-5-yl)benzenesulfonamide?
The canonical SMILES for N-(1',3',3'-trimethylspiro[3H-benzo[g][1]benzofuran-2,2'-indole]-5-yl)benzenesulfonamide is CN1c2ccccc2C(C)(C)C12Cc1cc(NS(=O)(=O)c3ccccc3)c3ccccc3c1O2.
What is the InChIKey of N-(1',3',3'-trimethylspiro[3H-benzo[g][1]benzofuran-2,2'-indole]-5-yl)benzenesulfonamide?
The InChIKey is WPNBUFUFLFNFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O3S/c1-27(2)23-15-9-10-16-25(23)30(3)28(27)18-19-17-24(21-13-7-8-14-22(21)26(19)33-28)29-34(31,32)20-11-5-4-6-12-20/h4-17,29H,18H2,1-3H3.
What are the key properties of N-(1',3',3'-trimethylspiro[3H-benzo[g][1]benzofuran-2,2'-indole]-5-yl)benzenesulfonamide?
N-(1',3',3'-trimethylspiro[3H-benzo[g][1]benzofuran-2,2'-indole]-5-yl)benzenesulfonamide has a molecular weight of 470.59 g/mol, XLogP of 5.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1',3',3'-trimethylspiro[3H-benzo[g][1]benzofuran-2,2'-indole]-5-yl)benzenesulfonamide is sourced from PubChem (CID 25048163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).