[2-(benzenesulfonyl)cyclopropyl]benzene;carbon monoxide;chromium

C18H14CrO5S — CID 11728948

IUPAC[2-(benzenesulfonyl)cyclopropyl]benzene;carbon monoxide;chromium
SMILESO=S(=O)(c1ccccc1)C1CC1c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C15H14O2S.3CO.Cr/c16-18(17,13-9-5-2-6-10-13)15-11-14(15)12-7-3-1-4-8-12;3*1-2;/h1-10,14-15H,11H2;;;;
InChIKeyQXVWHBBLZJADIS-UHFFFAOYSA-N
MW394.37 g/mol
LogP2.90
Rot. Bonds3

About [2-(benzenesulfonyl)cyclopropyl]benzene;carbon monoxide;chromium

[2-(benzenesulfonyl)cyclopropyl]benzene;carbon monoxide;chromium (PubChem CID 11728948) has the molecular formula C18H14CrO5S and a molecular weight of 394.37 g/mol. Its IUPAC name is [2-(benzenesulfonyl)cyclopropyl]benzene;carbon monoxide;chromium.

Molecular Properties

Compound Name[2-(benzenesulfonyl)cyclopropyl]benzene;carbon monoxide;chromium
PubChem CID11728948
Molecular FormulaC18H14CrO5S
Molecular Weight394.37 g/mol
Exact Mass394.00
IUPAC Name[2-(benzenesulfonyl)cyclopropyl]benzene;carbon monoxide;chromium
SMILESO=S(=O)(c1ccccc1)C1CC1c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C15H14O2S.3CO.Cr/c16-18(17,13-9-5-2-6-10-13)15-11-14(15)12-7-3-1-4-8-12;3*1-2;/h1-10,14-15H,11H2;;;;
InChIKeyQXVWHBBLZJADIS-UHFFFAOYSA-N
XLogP2.90
TPSA93.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.37
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Analyze [2-(benzenesulfonyl)cyclopropyl]benzene;carbon monoxide;chromium 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

(2-methylsulfonylcyclopropyl)benzene
CID 89149052
trans-(1R,2S)-2-phenylcyclopropane-1-sulfonamide
CID 68572736
cis-(1S,2R)-2-(benzenesulfonyl)cyclopropan-1-amine
CID 99999285
(1R,3R,4S,6S,8R)-4-(benzenesulfonyl)tetracyclo[6.2.1.13,6.02,7]dodec-2(7)-ene
CID 98557719
trans-(1R,2R)-2-(benzenesulfonyl)cyclopropane-1-carbaldehyde
CID 99999364
2-(2-phenylcyclopropyl)sulfonylacetic acid
CID 116516571
(1S,2S,3S,5S)-3-(benzenesulfonyl)-1,5-dimethyl-1-oxido-2-phenylpyrrolidin-1-ium
CID 11809715
2-(benzenesulfonyl)-3-phenylcyclopentan-1-one
CID 73191675
(2S,3R)-3-(benzenesulfonyl)-2-phenyloxane
CID 102080205
1-[2-(benzenesulfonyl)cyclopropyl]ethanone
CID 24975351
(3S,4aS,6S,8aR)-7-(benzenesulfonyl)-6-(4-methoxyphenyl)-3-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one
CID 118630168
(2-pentylcyclopropyl)sulfonylbenzene
CID 10467407

Frequently Asked Questions

What is the IUPAC name of [2-(benzenesulfonyl)cyclopropyl]benzene;carbon monoxide;chromium?
The IUPAC name of [2-(benzenesulfonyl)cyclopropyl]benzene;carbon monoxide;chromium (CID 11728948) is [2-(benzenesulfonyl)cyclopropyl]benzene;carbon monoxide;chromium.
What is the SMILES notation for [2-(benzenesulfonyl)cyclopropyl]benzene;carbon monoxide;chromium?
The canonical SMILES for [2-(benzenesulfonyl)cyclopropyl]benzene;carbon monoxide;chromium is O=S(=O)(c1ccccc1)C1CC1c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].
What is the InChIKey of [2-(benzenesulfonyl)cyclopropyl]benzene;carbon monoxide;chromium?
The InChIKey is QXVWHBBLZJADIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2S.3CO.Cr/c16-18(17,13-9-5-2-6-10-13)15-11-14(15)12-7-3-1-4-8-12;3*1-2;/h1-10,14-15H,11H2;;;;.
What are the key properties of [2-(benzenesulfonyl)cyclopropyl]benzene;carbon monoxide;chromium?
[2-(benzenesulfonyl)cyclopropyl]benzene;carbon monoxide;chromium has a molecular weight of 394.37 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzenesulfonyl)cyclopropyl]benzene;carbon monoxide;chromium is sourced from PubChem (CID 11728948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).