N-(benzenesulfonyl)-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)cyclohexanecarboxamide

C24H21NO5S2 — CID 22332150

IUPACN-(benzenesulfonyl)-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)cyclohexanecarboxamide
SMILESO=C(C1CCCCC1)N(c1cc2sc(=O)oc2c2ccccc12)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H21NO5S2/c26-23(16-9-3-1-4-10-16)25(32(28,29)17-11-5-2-6-12-17)20-15-21-22(30-24(27)31-21)19-14-8-7-13-18(19)20/h2,5-8,11-16H,1,3-4,9-10H2
InChIKeyPGMDYGGBNGVBKR-UHFFFAOYSA-N
MW467.57 g/mol
LogP5.31
Rot. Bonds4

About N-(benzenesulfonyl)-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)cyclohexanecarboxamide

N-(benzenesulfonyl)-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)cyclohexanecarboxamide (PubChem CID 22332150) has the molecular formula C24H21NO5S2 and a molecular weight of 467.57 g/mol. Its IUPAC name is N-(benzenesulfonyl)-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)cyclohexanecarboxamide
PubChem CID22332150
Molecular FormulaC24H21NO5S2
Molecular Weight467.57 g/mol
Exact Mass467.09
IUPAC NameN-(benzenesulfonyl)-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)cyclohexanecarboxamide
SMILESO=C(C1CCCCC1)N(c1cc2sc(=O)oc2c2ccccc12)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H21NO5S2/c26-23(16-9-3-1-4-10-16)25(32(28,29)17-11-5-2-6-12-17)20-15-21-22(30-24(27)31-21)19-14-8-7-13-18(19)20/h2,5-8,11-16H,1,3-4,9-10H2
InChIKeyPGMDYGGBNGVBKR-UHFFFAOYSA-N
XLogP5.31
TPSA84.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_carbonate_A(15)', 'substructure': 'N/A'}

Analyze N-(benzenesulfonyl)-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)cyclohexanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-N-(4-methoxyphenyl)sulfonyl-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzamide
CID 5051201
N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)-N-(2,4,5-trimethylphenyl)sulfonylpyridine-4-carboxamide
CID 5045584
phenyl N-(4-fluoro-2-methylphenyl)sulfonyl-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)carbamate
CID 3650956
N-(4-methylphenyl)sulfonyl-N-phenylcyclohexanecarboxamide
CID 19210513
N-(2,5-dimethylphenyl)sulfonyl-N-(2-oxo-1,3-benzoxathiol-5-yl)cyclohexanecarboxamide
CID 4521514
N-(4-bromophenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)cyclohexanecarboxamide
CID 4520906
N-(methyl-oxo-phenyl-λ6-sulfanylidene)cyclohexanecarboxamide
CID 122208403
N-(2-fluorophenyl)-N-methylsulfonylcyclohexanecarboxamide
CID 10756566
[4-[cyclohexanecarbonyl-(4-methylphenyl)sulfonylamino]-3-methylphenyl] cyclohexanecarboxylate
CID 4856197
N-hydroxy-N-phenylcycloheptanecarboxamide
CID 131974748
N-[2-(3-amino-3-oxopropyl)-5-nitrophenyl]-N-(benzenesulfonyl)azepane-2-carboxamide
CID 67628587
3-[cyclopentyl(methyl)sulfamoyl]benzoic acid
CID 43213252

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)cyclohexanecarboxamide?
The IUPAC name of N-(benzenesulfonyl)-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)cyclohexanecarboxamide (CID 22332150) is N-(benzenesulfonyl)-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(benzenesulfonyl)-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)cyclohexanecarboxamide is O=C(C1CCCCC1)N(c1cc2sc(=O)oc2c2ccccc12)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(benzenesulfonyl)-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)cyclohexanecarboxamide?
The InChIKey is PGMDYGGBNGVBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO5S2/c26-23(16-9-3-1-4-10-16)25(32(28,29)17-11-5-2-6-12-17)20-15-21-22(30-24(27)31-21)19-14-8-7-13-18(19)20/h2,5-8,11-16H,1,3-4,9-10H2.
What are the key properties of N-(benzenesulfonyl)-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)cyclohexanecarboxamide?
N-(benzenesulfonyl)-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)cyclohexanecarboxamide has a molecular weight of 467.57 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)cyclohexanecarboxamide is sourced from PubChem (CID 22332150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).