N-hydroxy-2-methylsulfonylbenzamide

C8H9NO4S — CID 20613410

IUPACN-hydroxy-2-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)NO
InChIInChI=1S/C8H9NO4S/c1-14(12,13)7-5-3-2-4-6(7)8(10)9-11/h2-5,11H,1H3,(H,9,10)
InChIKeyBBAPWOVXZQNEQL-UHFFFAOYSA-N
MW215.23 g/mol
LogP0.21
Rot. Bonds2

About N-hydroxy-2-methylsulfonylbenzamide

N-hydroxy-2-methylsulfonylbenzamide (PubChem CID 20613410) has the molecular formula C8H9NO4S and a molecular weight of 215.23 g/mol. Its IUPAC name is N-hydroxy-2-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-hydroxy-2-methylsulfonylbenzamide
PubChem CID20613410
Molecular FormulaC8H9NO4S
Molecular Weight215.23 g/mol
Exact Mass215.03
IUPAC NameN-hydroxy-2-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)NO
InChIInChI=1S/C8H9NO4S/c1-14(12,13)7-5-3-2-4-6(7)8(10)9-11/h2-5,11H,1H3,(H,9,10)
InChIKeyBBAPWOVXZQNEQL-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-(4-acetamidophenyl)-2-methylsulfonylbenzamide
CID 8701377
2-methylsulfonyl-N-pentan-3-ylbenzamide
CID 16625808
2-methylsulfonyl-N-prop-2-enylbenzamide
CID 31301978
N-(3,5-dichlorophenyl)-2-methylsulfonylbenzamide
CID 7565546
N-(2-amino-2-ethylbutyl)-2-methylsulfonylbenzamide
CID 119640864
N-(3-acetylphenyl)-2-methylsulfonylbenzamide
CID 2522636
3-[(2-methylsulfonylbenzoyl)amino]-3-phenylpropanoic acid
CID 45461472
N-(3,3-diphenylpropyl)-2-methylsulfonylbenzamide
CID 24761812
fluoro 2-methylsulfonylbenzoate
CID 118224514
N,2-dihydroxybenzamide;ethane
CID 91440405
(2R)-4-methyl-2-[(2-methylsulfonylbenzoyl)amino]pentanoic acid
CID 41119776
2-methylsulfonyl-N-pyrrolidin-3-ylbenzamide
CID 119450814

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-methylsulfonylbenzamide?
The IUPAC name of N-hydroxy-2-methylsulfonylbenzamide (CID 20613410) is N-hydroxy-2-methylsulfonylbenzamide.
What is the SMILES notation for N-hydroxy-2-methylsulfonylbenzamide?
The canonical SMILES for N-hydroxy-2-methylsulfonylbenzamide is CS(=O)(=O)c1ccccc1C(=O)NO.
What is the InChIKey of N-hydroxy-2-methylsulfonylbenzamide?
The InChIKey is BBAPWOVXZQNEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4S/c1-14(12,13)7-5-3-2-4-6(7)8(10)9-11/h2-5,11H,1H3,(H,9,10).
What are the key properties of N-hydroxy-2-methylsulfonylbenzamide?
N-hydroxy-2-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-2-methylsulfonylbenzamide is sourced from PubChem (CID 20613410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).