4-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide

C12H15NO4S — CID 60716553

IUPAC4-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
SMILESCC1(NC(=O)c2ccc(O)cc2)CCS(=O)(=O)C1
InChIInChI=1S/C12H15NO4S/c1-12(6-7-18(16,17)8-12)13-11(15)9-2-4-10(14)5-3-9/h2-5,14H,6-8H2,1H3,(H,13,15)
InChIKeyRQLLQJSYHXLRMI-UHFFFAOYSA-N
MW269.32 g/mol
LogP0.70
Rot. Bonds2

About 4-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide

4-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide (PubChem CID 60716553) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is 4-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide.

Molecular Properties

Compound Name4-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
PubChem CID60716553
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name4-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
SMILESCC1(NC(=O)c2ccc(O)cc2)CCS(=O)(=O)C1
InChIInChI=1S/C12H15NO4S/c1-12(6-7-18(16,17)8-12)13-11(15)9-2-4-10(14)5-3-9/h2-5,14H,6-8H2,1H3,(H,13,15)
InChIKeyRQLLQJSYHXLRMI-UHFFFAOYSA-N
XLogP0.70
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-4-methylsulfanylbenzamide
CID 30415077
4-(methoxymethyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 43020389
3-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60718307
4-hydroxy-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 103951728
1-N,2-N-bis[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzene-1,2-dicarboxamide
CID 2362502
N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]furan-3-carboxamide
CID 30583271
1-(4-hydroxyphenyl)-3-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]thiourea
CID 7106340
5-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 63859452
N-(3-methyl-1,1-dioxothiolan-3-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998184
3-N-(3-methyl-1,1-dioxothiolan-3-yl)benzene-1,3-dicarboxamide
CID 43057320
4-hydrazinyl-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 63211713
4-(3-methylbutoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 51146186

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide?
The IUPAC name of 4-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide (CID 60716553) is 4-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide.
What is the SMILES notation for 4-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide?
The canonical SMILES for 4-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide is CC1(NC(=O)c2ccc(O)cc2)CCS(=O)(=O)C1.
What is the InChIKey of 4-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide?
The InChIKey is RQLLQJSYHXLRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-12(6-7-18(16,17)8-12)13-11(15)9-2-4-10(14)5-3-9/h2-5,14H,6-8H2,1H3,(H,13,15).
What are the key properties of 4-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide?
4-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide has a molecular weight of 269.32 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide is sourced from PubChem (CID 60716553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).