4-(hydroxymethylsulfonyl)benzamide

C8H9NO4S — CID 58552991

IUPAC4-(hydroxymethylsulfonyl)benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)CO)cc1
InChIInChI=1S/C8H9NO4S/c9-8(11)6-1-3-7(4-2-6)14(12,13)5-10/h1-4,10H,5H2,(H2,9,11)
InChIKeyJIXJXVDUZJVONQ-UHFFFAOYSA-N
MW215.23 g/mol
LogP-0.49
Rot. Bonds3

About 4-(hydroxymethylsulfonyl)benzamide

4-(hydroxymethylsulfonyl)benzamide (PubChem CID 58552991) has the molecular formula C8H9NO4S and a molecular weight of 215.23 g/mol. Its IUPAC name is 4-(hydroxymethylsulfonyl)benzamide.

Molecular Properties

Compound Name4-(hydroxymethylsulfonyl)benzamide
PubChem CID58552991
Molecular FormulaC8H9NO4S
Molecular Weight215.23 g/mol
Exact Mass215.03
IUPAC Name4-(hydroxymethylsulfonyl)benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)CO)cc1
InChIInChI=1S/C8H9NO4S/c9-8(11)6-1-3-7(4-2-6)14(12,13)5-10/h1-4,10H,5H2,(H2,9,11)
InChIKeyJIXJXVDUZJVONQ-UHFFFAOYSA-N
XLogP-0.49
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-carbamoylbenzenesulfonyl fluoride
CID 54079384
4-methylsulfonylbenzamide;hydrochloride
CID 71184405
4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]benzamide
CID 107848473
(4-iodophenyl)sulfonylmethanol
CID 58552975
[4-(hydroxymethylsulfonyl)phenyl]methanol
CID 58553018
(4-hydrazinylphenyl)sulfonylmethanol
CID 19819859
4-[2-[(4-aminophenyl)sulfonylmethyl]phenyl]benzamide
CID 170161061
4-(methylsulfamoyl)benzamide
CID 43241290
potassium;benzene-1,4-dicarboxamide;hydride
CID 174539787
4-[ethyl(hydroxy)sulfamoyl]benzamide
CID 91012297
[4-(bromomethyl)phenyl]sulfonylmethanol
CID 21344055
4-(5-hydroxypentylsulfamoyl)benzamide
CID 107319438

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethylsulfonyl)benzamide?
The IUPAC name of 4-(hydroxymethylsulfonyl)benzamide (CID 58552991) is 4-(hydroxymethylsulfonyl)benzamide.
What is the SMILES notation for 4-(hydroxymethylsulfonyl)benzamide?
The canonical SMILES for 4-(hydroxymethylsulfonyl)benzamide is NC(=O)c1ccc(S(=O)(=O)CO)cc1.
What is the InChIKey of 4-(hydroxymethylsulfonyl)benzamide?
The InChIKey is JIXJXVDUZJVONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4S/c9-8(11)6-1-3-7(4-2-6)14(12,13)5-10/h1-4,10H,5H2,(H2,9,11).
What are the key properties of 4-(hydroxymethylsulfonyl)benzamide?
4-(hydroxymethylsulfonyl)benzamide has a molecular weight of 215.23 g/mol, XLogP of -0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethylsulfonyl)benzamide is sourced from PubChem (CID 58552991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).