N-hydroxy-3-methylsulfonylbenzamide

C8H9NO4S — CID 24692724

IUPACN-hydroxy-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)NO)c1
InChIInChI=1S/C8H9NO4S/c1-14(12,13)7-4-2-3-6(5-7)8(10)9-11/h2-5,11H,1H3,(H,9,10)
InChIKeySHQZCMKISPQBAX-UHFFFAOYSA-N
MW215.23 g/mol
LogP0.21
Rot. Bonds2

About N-hydroxy-3-methylsulfonylbenzamide

N-hydroxy-3-methylsulfonylbenzamide (PubChem CID 24692724) has the molecular formula C8H9NO4S and a molecular weight of 215.23 g/mol. Its IUPAC name is N-hydroxy-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-hydroxy-3-methylsulfonylbenzamide
PubChem CID24692724
Molecular FormulaC8H9NO4S
Molecular Weight215.23 g/mol
Exact Mass215.03
IUPAC NameN-hydroxy-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)NO)c1
InChIInChI=1S/C8H9NO4S/c1-14(12,13)7-4-2-3-6(5-7)8(10)9-11/h2-5,11H,1H3,(H,9,10)
InChIKeySHQZCMKISPQBAX-UHFFFAOYSA-N
XLogP0.21
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-bromo-3-methylsulfonylbenzamide
CID 174925666
(3-methylsulfonylbenzoyl)azanium
CID 163693398
N-cyclopropyl-3-methylsulfonylbenzamide
CID 18105935
methyl 3-methylsulfonylbenzoate
CID 6432252
N-(3-hydroxy-2-methylphenyl)-3-methylsulfonylbenzamide
CID 64792707
N-(3-bromo-4-fluorophenyl)-3-methylsulfonylbenzamide
CID 115661329
N-(2-bromo-3-chlorophenyl)-3-methylsulfonylbenzamide
CID 103480003
N-(azetidin-3-yl)-3-methylsulfonylbenzamide
CID 66186520
N-(3-iodophenyl)-3-methylsulfonylbenzamide
CID 16545735
N-(2-bromopropyl)-3-methylsulfonylbenzamide
CID 114308747
methyl (2R)-2-[(3-methylsulfonylbenzoyl)amino]propanoate
CID 113257877
3-methylsulfonyl-N-(4-sulfamoylphenyl)benzamide
CID 7565696

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-methylsulfonylbenzamide?
The IUPAC name of N-hydroxy-3-methylsulfonylbenzamide (CID 24692724) is N-hydroxy-3-methylsulfonylbenzamide.
What is the SMILES notation for N-hydroxy-3-methylsulfonylbenzamide?
The canonical SMILES for N-hydroxy-3-methylsulfonylbenzamide is CS(=O)(=O)c1cccc(C(=O)NO)c1.
What is the InChIKey of N-hydroxy-3-methylsulfonylbenzamide?
The InChIKey is SHQZCMKISPQBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4S/c1-14(12,13)7-4-2-3-6(5-7)8(10)9-11/h2-5,11H,1H3,(H,9,10).
What are the key properties of N-hydroxy-3-methylsulfonylbenzamide?
N-hydroxy-3-methylsulfonylbenzamide has a molecular weight of 215.23 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-methylsulfonylbenzamide is sourced from PubChem (CID 24692724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).