azanidacycloheptan-2-ol;bromo-(4-methylphenyl)sulfonylazanide;carbanide;bis(rhodium)

C19H37BrN2O3Rh2S-8 — CID 58711053

IUPACazanidacycloheptan-2-ol;bromo-(4-methylphenyl)sulfonylazanide;carbanide;bis(rhodium)
SMILESCc1ccc(S(=O)(=O)[N-]Br)cc1.OC1CCCCC[N-]1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Rh].[Rh]
InChIInChI=1S/C7H7BrNO2S.C6H12NO.6CH3.2Rh/c1-6-2-4-7(5-3-6)12(10,11)9-8;8-6-4-2-1-3-5-7-6;;;;;;;;/h2-5H,1H3;6,8H,1-5H2;6*1H3;;/q8*-1;;
InChIKeyIPBWAYOMAVXSOG-UHFFFAOYSA-N
MW659.30 g/mol
LogP6.32
Rot. Bonds2

About azanidacycloheptan-2-ol;bromo-(4-methylphenyl)sulfonylazanide;carbanide;bis(rhodium)

azanidacycloheptan-2-ol;bromo-(4-methylphenyl)sulfonylazanide;carbanide;bis(rhodium) (PubChem CID 58711053) has the molecular formula C19H37BrN2O3Rh2S-8 and a molecular weight of 659.30 g/mol. Its IUPAC name is azanidacycloheptan-2-ol;bromo-(4-methylphenyl)sulfonylazanide;carbanide;bis(rhodium).

Molecular Properties

Compound Nameazanidacycloheptan-2-ol;bromo-(4-methylphenyl)sulfonylazanide;carbanide;bis(rhodium)
PubChem CID58711053
Molecular FormulaC19H37BrN2O3Rh2S-8
Molecular Weight659.30 g/mol
Exact Mass657.99
IUPAC Nameazanidacycloheptan-2-ol;bromo-(4-methylphenyl)sulfonylazanide;carbanide;bis(rhodium)
SMILESCc1ccc(S(=O)(=O)[N-]Br)cc1.OC1CCCCC[N-]1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Rh].[Rh]
InChIInChI=1S/C7H7BrNO2S.C6H12NO.6CH3.2Rh/c1-6-2-4-7(5-3-6)12(10,11)9-8;8-6-4-2-1-3-5-7-6;;;;;;;;/h2-5H,1H3;6,8H,1-5H2;6*1H3;;/q8*-1;;
InChIKeyIPBWAYOMAVXSOG-UHFFFAOYSA-N
XLogP6.32
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.30
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cyclohexanol;cyclohexyl 4-methylbenzenesulfonate
CID 159499351
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-4-methylbenzenesulfonamide
CID 110125809
trans-(1R,2R)-2-(4-methylphenyl)sulfonylcyclopentan-1-ol
CID 13212964
N-[(1R,2R)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide
CID 11230584
4-methyl-N-[(1R,2R)-2-sulfanylcyclohexyl]benzenesulfonamide
CID 25140124
bis(cyclopentane);bis(4-methylbenzenesulfonic acid);titanium(2+)
CID 23230882
[(1S,2S)-2-azanidylcyclohexyl]-(4-methylphenyl)sulfonylazanide;carbanide;chlororuthenium(3+)
CID 134945731
4-methyl-N-[(1R,2R)-2-(4-methylphenyl)sulfonylcyclohexyl]benzenesulfonamide
CID 25015867
1-cyclohexyl-3-[(4-methylphenyl)sulfonylcarbamoylamino]urea
CID 2370277
(2-cyclohexylcyclohexyl) 4-methylbenzenesulfonate
CID 18989073
N-[(1S,2R)-2-bromocyclohexyl]-4-methylbenzenesulfonamide
CID 134933905
4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 11097522

Frequently Asked Questions

What is the IUPAC name of azanidacycloheptan-2-ol;bromo-(4-methylphenyl)sulfonylazanide;carbanide;bis(rhodium)?
The IUPAC name of azanidacycloheptan-2-ol;bromo-(4-methylphenyl)sulfonylazanide;carbanide;bis(rhodium) (CID 58711053) is azanidacycloheptan-2-ol;bromo-(4-methylphenyl)sulfonylazanide;carbanide;bis(rhodium).
What is the SMILES notation for azanidacycloheptan-2-ol;bromo-(4-methylphenyl)sulfonylazanide;carbanide;bis(rhodium)?
The canonical SMILES for azanidacycloheptan-2-ol;bromo-(4-methylphenyl)sulfonylazanide;carbanide;bis(rhodium) is Cc1ccc(S(=O)(=O)[N-]Br)cc1.OC1CCCCC[N-]1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Rh].[Rh].
What is the InChIKey of azanidacycloheptan-2-ol;bromo-(4-methylphenyl)sulfonylazanide;carbanide;bis(rhodium)?
The InChIKey is IPBWAYOMAVXSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrNO2S.C6H12NO.6CH3.2Rh/c1-6-2-4-7(5-3-6)12(10,11)9-8;8-6-4-2-1-3-5-7-6;;;;;;;;/h2-5H,1H3;6,8H,1-5H2;6*1H3;;/q8*-1;;.
What are the key properties of azanidacycloheptan-2-ol;bromo-(4-methylphenyl)sulfonylazanide;carbanide;bis(rhodium)?
azanidacycloheptan-2-ol;bromo-(4-methylphenyl)sulfonylazanide;carbanide;bis(rhodium) has a molecular weight of 659.30 g/mol, XLogP of 6.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanidacycloheptan-2-ol;bromo-(4-methylphenyl)sulfonylazanide;carbanide;bis(rhodium) is sourced from PubChem (CID 58711053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).