barium(2+);bis((4-chlorophenyl)sulfonyl-di(nonoxy)phosphorylazanide)

C48H84BaCl2N2O10P2S2 — CID 4098336

IUPACbarium(2+);bis((4-chlorophenyl)sulfonyl-di(nonoxy)phosphorylazanide)
SMILESCCCCCCCCCOP(=O)([N-]S(=O)(=O)c1ccc(Cl)cc1)OCCCCCCCCC.CCCCCCCCCOP(=O)([N-]S(=O)(=O)c1ccc(Cl)cc1)OCCCCCCCCC.[Ba+2]
InChIInChI=1S/2C24H42ClNO5PS.Ba/c2*1-3-5-7-9-11-13-15-21-30-32(27,31-22-16-14-12-10-8-6-4-2)26-33(28,29)24-19-17-23(25)18-20-24;/h2*17-20H,3-16,21-22H2,1-2H3;/q2*-1;+2
InChIKeyUYRVMKXNSFREGK-UHFFFAOYSA-N
MW1183.52 g/mol
LogP17.71
Rot. Bonds42

About barium(2+);bis((4-chlorophenyl)sulfonyl-di(nonoxy)phosphorylazanide)

barium(2+);bis((4-chlorophenyl)sulfonyl-di(nonoxy)phosphorylazanide) (PubChem CID 4098336) has the molecular formula C48H84BaCl2N2O10P2S2 and a molecular weight of 1183.52 g/mol. Its IUPAC name is barium(2+);bis((4-chlorophenyl)sulfonyl-di(nonoxy)phosphorylazanide).

Molecular Properties

Compound Namebarium(2+);bis((4-chlorophenyl)sulfonyl-di(nonoxy)phosphorylazanide)
PubChem CID4098336
Molecular FormulaC48H84BaCl2N2O10P2S2
Molecular Weight1183.52 g/mol
Exact Mass1182.35
IUPAC Namebarium(2+);bis((4-chlorophenyl)sulfonyl-di(nonoxy)phosphorylazanide)
SMILESCCCCCCCCCOP(=O)([N-]S(=O)(=O)c1ccc(Cl)cc1)OCCCCCCCCC.CCCCCCCCCOP(=O)([N-]S(=O)(=O)c1ccc(Cl)cc1)OCCCCCCCCC.[Ba+2]
InChIInChI=1S/2C24H42ClNO5PS.Ba/c2*1-3-5-7-9-11-13-15-21-30-32(27,31-22-16-14-12-10-8-6-4-2)26-33(28,29)24-19-17-23(25)18-20-24;/h2*17-20H,3-16,21-22H2,1-2H3;/q2*-1;+2
InChIKeyUYRVMKXNSFREGK-UHFFFAOYSA-N
XLogP17.71
TPSA167.54 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds42
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001183.52
LogP ≤ 517.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

di(tridecoxy)phosphorylbenzene
CID 87531060
[decoxy(phenyl)phosphoryl]benzene
CID 135066173
4-chloro-N-[4-[(4-chlorophenyl)sulfonylamino]-3-dipentoxyphosphorylphenyl]benzenesulfonamide
CID 5208098
1-chloro-4-[(4-chlorophenyl)-decylphosphoryl]benzene
CID 102112436
1-[chloro(methyl)phosphoryl]oxyheptane
CID 13173235
dilithium;tetradecyl phosphate
CID 139820221
beryllium bis(dihexadecyl phosphate)
CID 102241208
dilithium;tridecyl phosphate
CID 159999815
dilithium;octacosyl phosphate
CID 139820226
4-chloro-N,N-dihexylbenzenesulfonamide
CID 3310777
1-[methyl(octoxy)phosphoryl]oxyoctane
CID 15779
1-chloro-4-dipropoxyphosphorylbenzene
CID 86198706

Frequently Asked Questions

What is the IUPAC name of barium(2+);bis((4-chlorophenyl)sulfonyl-di(nonoxy)phosphorylazanide)?
The IUPAC name of barium(2+);bis((4-chlorophenyl)sulfonyl-di(nonoxy)phosphorylazanide) (CID 4098336) is barium(2+);bis((4-chlorophenyl)sulfonyl-di(nonoxy)phosphorylazanide).
What is the SMILES notation for barium(2+);bis((4-chlorophenyl)sulfonyl-di(nonoxy)phosphorylazanide)?
The canonical SMILES for barium(2+);bis((4-chlorophenyl)sulfonyl-di(nonoxy)phosphorylazanide) is CCCCCCCCCOP(=O)([N-]S(=O)(=O)c1ccc(Cl)cc1)OCCCCCCCCC.CCCCCCCCCOP(=O)([N-]S(=O)(=O)c1ccc(Cl)cc1)OCCCCCCCCC.[Ba+2].
What is the InChIKey of barium(2+);bis((4-chlorophenyl)sulfonyl-di(nonoxy)phosphorylazanide)?
The InChIKey is UYRVMKXNSFREGK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H42ClNO5PS.Ba/c2*1-3-5-7-9-11-13-15-21-30-32(27,31-22-16-14-12-10-8-6-4-2)26-33(28,29)24-19-17-23(25)18-20-24;/h2*17-20H,3-16,21-22H2,1-2H3;/q2*-1;+2.
What are the key properties of barium(2+);bis((4-chlorophenyl)sulfonyl-di(nonoxy)phosphorylazanide)?
barium(2+);bis((4-chlorophenyl)sulfonyl-di(nonoxy)phosphorylazanide) has a molecular weight of 1183.52 g/mol, XLogP of 17.71, 42 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);bis((4-chlorophenyl)sulfonyl-di(nonoxy)phosphorylazanide) is sourced from PubChem (CID 4098336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).