chromium;(NE)-N-(pyrrol-1-id-2-ylmethylidene)benzenesulfonamide

C11H9CrN2O2S- — CID 23578469

IUPACchromium;(NE)-N-(pyrrol-1-id-2-ylmethylidene)benzenesulfonamide
SMILESO=S(=O)(/N=C/c1ccc[n-]1)c1ccccc1.[Cr]
InChIInChI=1S/C11H9N2O2S.Cr/c14-16(15,11-6-2-1-3-7-11)13-9-10-5-4-8-12-10;/h1-9H;/q-1;/b13-9+;
InChIKeySAEDLZQNIWWLOB-KJEVSKRMSA-N
MW285.27 g/mol
LogP1.45
Rot. Bonds3

About chromium;(NE)-N-(pyrrol-1-id-2-ylmethylidene)benzenesulfonamide

chromium;(NE)-N-(pyrrol-1-id-2-ylmethylidene)benzenesulfonamide (PubChem CID 23578469) has the molecular formula C11H9CrN2O2S- and a molecular weight of 285.27 g/mol. Its IUPAC name is chromium;(NE)-N-(pyrrol-1-id-2-ylmethylidene)benzenesulfonamide.

Molecular Properties

Compound Namechromium;(NE)-N-(pyrrol-1-id-2-ylmethylidene)benzenesulfonamide
PubChem CID23578469
Molecular FormulaC11H9CrN2O2S-
Molecular Weight285.27 g/mol
Exact Mass284.98
IUPAC Namechromium;(NE)-N-(pyrrol-1-id-2-ylmethylidene)benzenesulfonamide
SMILESO=S(=O)(/N=C/c1ccc[n-]1)c1ccccc1.[Cr]
InChIInChI=1S/C11H9N2O2S.Cr/c14-16(15,11-6-2-1-3-7-11)13-9-10-5-4-8-12-10;/h1-9H;/q-1;/b13-9+;
InChIKeySAEDLZQNIWWLOB-KJEVSKRMSA-N
XLogP1.45
TPSA60.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze chromium;(NE)-N-(pyrrol-1-id-2-ylmethylidene)benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of chromium;(NE)-N-(pyrrol-1-id-2-ylmethylidene)benzenesulfonamide?
The IUPAC name of chromium;(NE)-N-(pyrrol-1-id-2-ylmethylidene)benzenesulfonamide (CID 23578469) is chromium;(NE)-N-(pyrrol-1-id-2-ylmethylidene)benzenesulfonamide.
What is the SMILES notation for chromium;(NE)-N-(pyrrol-1-id-2-ylmethylidene)benzenesulfonamide?
The canonical SMILES for chromium;(NE)-N-(pyrrol-1-id-2-ylmethylidene)benzenesulfonamide is O=S(=O)(/N=C/c1ccc[n-]1)c1ccccc1.[Cr].
What is the InChIKey of chromium;(NE)-N-(pyrrol-1-id-2-ylmethylidene)benzenesulfonamide?
The InChIKey is SAEDLZQNIWWLOB-KJEVSKRMSA-N. The full InChI is InChI=1S/C11H9N2O2S.Cr/c14-16(15,11-6-2-1-3-7-11)13-9-10-5-4-8-12-10;/h1-9H;/q-1;/b13-9+;.
What are the key properties of chromium;(NE)-N-(pyrrol-1-id-2-ylmethylidene)benzenesulfonamide?
chromium;(NE)-N-(pyrrol-1-id-2-ylmethylidene)benzenesulfonamide has a molecular weight of 285.27 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chromium;(NE)-N-(pyrrol-1-id-2-ylmethylidene)benzenesulfonamide is sourced from PubChem (CID 23578469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).