[benzenesulfonamido(phosphono)methyl]phosphonic acid

C7H11NO8P2S — CID 10068042

IUPAC[benzenesulfonamido(phosphono)methyl]phosphonic acid
SMILESO=P(O)(O)C(NS(=O)(=O)c1ccccc1)P(=O)(O)O
InChIInChI=1S/C7H11NO8P2S/c9-17(10,11)7(18(12,13)14)8-19(15,16)6-4-2-1-3-5-6/h1-5,7-8H,(H2,9,10,11)(H2,12,13,14)
InChIKeyHVGLTRLVWUDEJR-UHFFFAOYSA-N
MW331.18 g/mol
LogP-0.40
Rot. Bonds5

About [benzenesulfonamido(phosphono)methyl]phosphonic acid

[benzenesulfonamido(phosphono)methyl]phosphonic acid (PubChem CID 10068042) has the molecular formula C7H11NO8P2S and a molecular weight of 331.18 g/mol. Its IUPAC name is [benzenesulfonamido(phosphono)methyl]phosphonic acid.

Molecular Properties

Compound Name[benzenesulfonamido(phosphono)methyl]phosphonic acid
PubChem CID10068042
Molecular FormulaC7H11NO8P2S
Molecular Weight331.18 g/mol
Exact Mass330.97
IUPAC Name[benzenesulfonamido(phosphono)methyl]phosphonic acid
SMILESO=P(O)(O)C(NS(=O)(=O)c1ccccc1)P(=O)(O)O
InChIInChI=1S/C7H11NO8P2S/c9-17(10,11)7(18(12,13)14)8-19(15,16)6-4-2-1-3-5-6/h1-5,7-8H,(H2,9,10,11)(H2,12,13,14)
InChIKeyHVGLTRLVWUDEJR-UHFFFAOYSA-N
XLogP-0.40
TPSA161.23 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.18
LogP ≤ 5-0.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
N-(1,3-difluoropropan-2-yl)benzenesulfonamide
CID 67606525
N-(3-oxobutan-2-yl)benzenesulfonamide
CID 64994182
(2R)-2-(benzenesulfonamido)-2-phenylacetic acid
CID 2062887
(2S)-2-(benzenesulfonamido)-3-methylbutanoic acid;methane
CID 158887122
(2R)-2-(benzenesulfonamido)propanamide
CID 970705
[1-(benzenesulfonamido)-2-methylpropyl]phosphinous acid
CID 141078728
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
methyl (2S)-2-(benzenesulfonamido)propanoate
CID 10857687
N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 73191893

Frequently Asked Questions

What is the IUPAC name of [benzenesulfonamido(phosphono)methyl]phosphonic acid?
The IUPAC name of [benzenesulfonamido(phosphono)methyl]phosphonic acid (CID 10068042) is [benzenesulfonamido(phosphono)methyl]phosphonic acid.
What is the SMILES notation for [benzenesulfonamido(phosphono)methyl]phosphonic acid?
The canonical SMILES for [benzenesulfonamido(phosphono)methyl]phosphonic acid is O=P(O)(O)C(NS(=O)(=O)c1ccccc1)P(=O)(O)O.
What is the InChIKey of [benzenesulfonamido(phosphono)methyl]phosphonic acid?
The InChIKey is HVGLTRLVWUDEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO8P2S/c9-17(10,11)7(18(12,13)14)8-19(15,16)6-4-2-1-3-5-6/h1-5,7-8H,(H2,9,10,11)(H2,12,13,14).
What are the key properties of [benzenesulfonamido(phosphono)methyl]phosphonic acid?
[benzenesulfonamido(phosphono)methyl]phosphonic acid has a molecular weight of 331.18 g/mol, XLogP of -0.40, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [benzenesulfonamido(phosphono)methyl]phosphonic acid is sourced from PubChem (CID 10068042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).