CID 15091933

C28H26O4S2 — CID 15091933

IUPAC—
SMILESO=S(=O)(c1ccccc1)[C@@H]1[C@H](S(=O)(=O)c2ccccc2)[C@H]2C3=C([C@@H]4C=C[C@H]3C43CC3)[C@@H]1C21CC1
InChIInChI=1S/C28H26O4S2/c29-33(30,17-7-3-1-4-8-17)25-23-21-19-11-12-20(27(19)13-14-27)22(21)24(28(23)15-16-28)26(25)34(31,32)18-9-5-2-6-10-18/h1-12,19-20,23-26H,13-16H2/t19-,20+,23-,24+,25-,26+
InChIKeyISRPQTGGVIYWGU-KELBCLRESA-N
MW490.65 g/mol
LogP4.60
Rot. Bonds4

About CID 15091933

CID 15091933 (PubChem CID 15091933) has the molecular formula C28H26O4S2 and a molecular weight of 490.65 g/mol.

Molecular Properties

Compound NameCID 15091933
PubChem CID15091933
Molecular FormulaC28H26O4S2
Molecular Weight490.65 g/mol
Exact Mass490.13
IUPAC Name—
SMILESO=S(=O)(c1ccccc1)[C@@H]1[C@H](S(=O)(=O)c2ccccc2)[C@H]2C3=C([C@@H]4C=C[C@H]3C43CC3)[C@@H]1C21CC1
InChIInChI=1S/C28H26O4S2/c29-33(30,17-7-3-1-4-8-17)25-23-21-19-11-12-20(27(19)13-14-27)22(21)24(28(23)15-16-28)26(25)34(31,32)18-9-5-2-6-10-18/h1-12,19-20,23-26H,13-16H2/t19-,20+,23-,24+,25-,26+
InChIKeyISRPQTGGVIYWGU-KELBCLRESA-N
XLogP4.60
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.65
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze CID 15091933 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

(1'R,3'R,6'S,8'S,9'S,10'R)-9',10'-bis(benzenesulfonyl)spiro[cyclopropane-1,11'-tetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene]
CID 15091932
(1R,2R,5R,6R,7R,8R,9R,10R)-8,9-bis(benzenesulfonyl)-12,13-di(propan-2-ylidene)-11-oxapentacyclo[4.4.1.12,5.17,10.01,6]tridec-3-ene
CID 125033141
[(1R)-2,2-dimethylcyclopropyl]sulfonylbenzene
CID 95562608
(1R,5R,6S,9S,10R)-9,10-bis(benzenesulfonyl)tricyclo[4.2.2.01,5]dec-7-ene
CID 124525614
(1R,2S,3R,4S,6S,7R,8R,9S,10R,11S)-10,11-bis(benzenesulfonyl)hexacyclo[7.2.1.02,4.02,8.03,7.06,8]dodecane
CID 125034103
7-(benzenesulfonyl)-6,6-dibromobicyclo[3.1.1]heptane
CID 4585569
6,7-bis(benzenesulfonyl)-3-oxatricyclo[3.2.1.02,4]octane
CID 14470256
[(2S)-2-(benzenesulfonyl)-1-(hydroxymethyl)cyclopropyl]methanol
CID 99999155
cis-(1S,2R)-1-amino-2-(benzenesulfonyl)cyclopropane-1-carboxylic acid
CID 99999201
9,10-bis(benzenesulfonyl)-11-thiatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 102257079
(2S,3R)-2-(benzenesulfonyl)-3-methoxybicyclo[2.2.2]octane
CID 102011149
cis-(1S,2R)-2-(benzenesulfonyl)cyclopropan-1-amine
CID 99999285

Frequently Asked Questions

What is the IUPAC name of CID 15091933?
The IUPAC name of CID 15091933 (CID 15091933) is not available.
What is the SMILES notation for CID 15091933?
The canonical SMILES for CID 15091933 is O=S(=O)(c1ccccc1)[C@@H]1[C@H](S(=O)(=O)c2ccccc2)[C@H]2C3=C([C@@H]4C=C[C@H]3C43CC3)[C@@H]1C21CC1.
What is the InChIKey of CID 15091933?
The InChIKey is ISRPQTGGVIYWGU-KELBCLRESA-N. The full InChI is InChI=1S/C28H26O4S2/c29-33(30,17-7-3-1-4-8-17)25-23-21-19-11-12-20(27(19)13-14-27)22(21)24(28(23)15-16-28)26(25)34(31,32)18-9-5-2-6-10-18/h1-12,19-20,23-26H,13-16H2/t19-,20+,23-,24+,25-,26+.
What are the key properties of CID 15091933?
CID 15091933 has a molecular weight of 490.65 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 15091933 is sourced from PubChem (CID 15091933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).