[1-(benzenesulfonamido)-2-methylpropyl]phosphinous acid

C10H16NO3PS — CID 141078728

IUPAC[1-(benzenesulfonamido)-2-methylpropyl]phosphinous acid
SMILESCC(C)C(NS(=O)(=O)c1ccccc1)PO
InChIInChI=1S/C10H16NO3PS/c1-8(2)10(15-12)11-16(13,14)9-6-4-3-5-7-9/h3-8,10-12,15H,1-2H3
InChIKeyBEXIPUBHKLYZIM-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.53
Rot. Bonds5

About [1-(benzenesulfonamido)-2-methylpropyl]phosphinous acid

[1-(benzenesulfonamido)-2-methylpropyl]phosphinous acid (PubChem CID 141078728) has the molecular formula C10H16NO3PS and a molecular weight of 261.28 g/mol. Its IUPAC name is [1-(benzenesulfonamido)-2-methylpropyl]phosphinous acid.

Molecular Properties

Compound Name[1-(benzenesulfonamido)-2-methylpropyl]phosphinous acid
PubChem CID141078728
Molecular FormulaC10H16NO3PS
Molecular Weight261.28 g/mol
Exact Mass261.06
IUPAC Name[1-(benzenesulfonamido)-2-methylpropyl]phosphinous acid
SMILESCC(C)C(NS(=O)(=O)c1ccccc1)PO
InChIInChI=1S/C10H16NO3PS/c1-8(2)10(15-12)11-16(13,14)9-6-4-3-5-7-9/h3-8,10-12,15H,1-2H3
InChIKeyBEXIPUBHKLYZIM-UHFFFAOYSA-N
XLogP1.53
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(benzenesulfonamido)-3-methylbutanoic acid;methane
CID 158887122
(2R)-2-(benzenesulfonamido)propanamide
CID 970705
N-[(1S)-2-methyl-1-phenylpropyl]benzenesulfonamide
CID 40522121
N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 73191893
N-(3-oxobutan-2-yl)benzenesulfonamide
CID 64994182
N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
methyl (2S)-2-(benzenesulfonamido)propanoate
CID 10857687
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide
CID 13293571
(2S)-2-(benzenesulfonamido)-3,3-dimethylbutanoic acid
CID 61142132
N-(1-oxo-1-phenylpropan-2-yl)benzenesulfonamide
CID 13293562
2-(benzenesulfonamido)-N'-hydroxy-3-methylbutanimidamide
CID 77038656
N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 42999040

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonamido)-2-methylpropyl]phosphinous acid?
The IUPAC name of [1-(benzenesulfonamido)-2-methylpropyl]phosphinous acid (CID 141078728) is [1-(benzenesulfonamido)-2-methylpropyl]phosphinous acid.
What is the SMILES notation for [1-(benzenesulfonamido)-2-methylpropyl]phosphinous acid?
The canonical SMILES for [1-(benzenesulfonamido)-2-methylpropyl]phosphinous acid is CC(C)C(NS(=O)(=O)c1ccccc1)PO.
What is the InChIKey of [1-(benzenesulfonamido)-2-methylpropyl]phosphinous acid?
The InChIKey is BEXIPUBHKLYZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16NO3PS/c1-8(2)10(15-12)11-16(13,14)9-6-4-3-5-7-9/h3-8,10-12,15H,1-2H3.
What are the key properties of [1-(benzenesulfonamido)-2-methylpropyl]phosphinous acid?
[1-(benzenesulfonamido)-2-methylpropyl]phosphinous acid has a molecular weight of 261.28 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonamido)-2-methylpropyl]phosphinous acid is sourced from PubChem (CID 141078728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).