N-[hydroxy-bis[(2-methylpropan-2-yl)oxy]-λ5-phosphanylidene]-4-methylbenzenesulfonamide

C15H26NO5PS — CID 165163809

IUPACN-[hydroxy-bis[(2-methylpropan-2-yl)oxy]-λ5-phosphanylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=P(O)(OC(C)(C)C)OC(C)(C)C)cc1
InChIInChI=1S/C15H26NO5PS/c1-12-8-10-13(11-9-12)23(18,19)16-22(17,20-14(2,3)4)21-15(5,6)7/h8-11,17H,1-7H3
InChIKeyFULQYWIFLMFHQL-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.25
Rot. Bonds4

About N-[hydroxy-bis[(2-methylpropan-2-yl)oxy]-λ5-phosphanylidene]-4-methylbenzenesulfonamide

N-[hydroxy-bis[(2-methylpropan-2-yl)oxy]-λ5-phosphanylidene]-4-methylbenzenesulfonamide (PubChem CID 165163809) has the molecular formula C15H26NO5PS and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[hydroxy-bis[(2-methylpropan-2-yl)oxy]-λ5-phosphanylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[hydroxy-bis[(2-methylpropan-2-yl)oxy]-λ5-phosphanylidene]-4-methylbenzenesulfonamide
PubChem CID165163809
Molecular FormulaC15H26NO5PS
Molecular Weight363.42 g/mol
Exact Mass363.13
IUPAC NameN-[hydroxy-bis[(2-methylpropan-2-yl)oxy]-λ5-phosphanylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=P(O)(OC(C)(C)C)OC(C)(C)C)cc1
InChIInChI=1S/C15H26NO5PS/c1-12-8-10-13(11-9-12)23(18,19)16-22(17,20-14(2,3)4)21-15(5,6)7/h8-11,17H,1-7H3
InChIKeyFULQYWIFLMFHQL-UHFFFAOYSA-N
XLogP4.25
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N'-(4-methylphenyl)sulfonylpropanimidamide
CID 73166022
N-diazo-4-methylbenzenesulfonamide
CID 13661
tert-butyl (4-methylphenyl)sulfonylformate
CID 175694801
4-methyl-N-[2-[(4-methylphenyl)sulfonylimino-diphenyl-λ5-phosphanyl]ethynyl-diphenyl-λ5-phosphanylidene]benzenesulfonamide
CID 134875992
3-methoxy-3-methyl-2-(4-methylphenyl)sulfonylbutan-2-ol
CID 175302251
3-hydroxy-3-methyl-N'-(4-methylphenyl)sulfonylbutanimidamide
CID 158662021
2,2,2-trifluoro-N-(4-methylphenyl)sulfonylethanimidoyl chloride
CID 71380234
methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 157486771
4-methylbenzenesulfonic acid
CID 157221593
tert-butyl 4-[(4-methylphenyl)sulfonyliminomethyl]piperazine-1-carboxylate
CID 175856555
methyl N'-(4-methylphenyl)sulfonylcarbamimidothioate
CID 5368528
N-[fluoro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide
CID 163201515

Frequently Asked Questions

What is the IUPAC name of N-[hydroxy-bis[(2-methylpropan-2-yl)oxy]-λ5-phosphanylidene]-4-methylbenzenesulfonamide?
The IUPAC name of N-[hydroxy-bis[(2-methylpropan-2-yl)oxy]-λ5-phosphanylidene]-4-methylbenzenesulfonamide (CID 165163809) is N-[hydroxy-bis[(2-methylpropan-2-yl)oxy]-λ5-phosphanylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[hydroxy-bis[(2-methylpropan-2-yl)oxy]-λ5-phosphanylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[hydroxy-bis[(2-methylpropan-2-yl)oxy]-λ5-phosphanylidene]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N=P(O)(OC(C)(C)C)OC(C)(C)C)cc1.
What is the InChIKey of N-[hydroxy-bis[(2-methylpropan-2-yl)oxy]-λ5-phosphanylidene]-4-methylbenzenesulfonamide?
The InChIKey is FULQYWIFLMFHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26NO5PS/c1-12-8-10-13(11-9-12)23(18,19)16-22(17,20-14(2,3)4)21-15(5,6)7/h8-11,17H,1-7H3.
What are the key properties of N-[hydroxy-bis[(2-methylpropan-2-yl)oxy]-λ5-phosphanylidene]-4-methylbenzenesulfonamide?
N-[hydroxy-bis[(2-methylpropan-2-yl)oxy]-λ5-phosphanylidene]-4-methylbenzenesulfonamide has a molecular weight of 363.42 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[hydroxy-bis[(2-methylpropan-2-yl)oxy]-λ5-phosphanylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 165163809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).