N-(1,1-dioxothian-3-yl)-4-hydroxybenzamide

C12H15NO4S — CID 63921781

IUPACN-(1,1-dioxothian-3-yl)-4-hydroxybenzamide
SMILESO=C(NC1CCCS(=O)(=O)C1)c1ccc(O)cc1
InChIInChI=1S/C12H15NO4S/c14-11-5-3-9(4-6-11)12(15)13-10-2-1-7-18(16,17)8-10/h3-6,10,14H,1-2,7-8H2,(H,13,15)
InChIKeyDFWVHBXYPJDNBI-UHFFFAOYSA-N
MW269.32 g/mol
LogP0.70
Rot. Bonds2

About N-(1,1-dioxothian-3-yl)-4-hydroxybenzamide

N-(1,1-dioxothian-3-yl)-4-hydroxybenzamide (PubChem CID 63921781) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is N-(1,1-dioxothian-3-yl)-4-hydroxybenzamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-3-yl)-4-hydroxybenzamide
PubChem CID63921781
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC NameN-(1,1-dioxothian-3-yl)-4-hydroxybenzamide
SMILESO=C(NC1CCCS(=O)(=O)C1)c1ccc(O)cc1
InChIInChI=1S/C12H15NO4S/c14-11-5-3-9(4-6-11)12(15)13-10-2-1-7-18(16,17)8-10/h3-6,10,14H,1-2,7-8H2,(H,13,15)
InChIKeyDFWVHBXYPJDNBI-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-(1,1-dioxothian-3-yl)-2,5-dihydroxybenzamide
CID 107723081
4-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7083020
N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 40634625
3-bromo-N-[(3R)-1,1-dioxothian-3-yl]benzamide
CID 95264332
N-[(3S)-1,1-dioxothiolan-3-yl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 7346492
N-(1,1-dioxothiolan-3-yl)-4-(trifluoromethyl)benzamide
CID 17475086
N-cyclopentyl-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 109059272
4-cyano-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7123831
4-cyano-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7123830
3-bromo-N-(1,1-dioxothian-3-yl)-5-methylbenzamide
CID 104852729
N-(1,1-dioxothian-3-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 63922749
3-cyano-N-(1,1-dioxothian-3-yl)benzamide
CID 63922155

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-3-yl)-4-hydroxybenzamide?
The IUPAC name of N-(1,1-dioxothian-3-yl)-4-hydroxybenzamide (CID 63921781) is N-(1,1-dioxothian-3-yl)-4-hydroxybenzamide.
What is the SMILES notation for N-(1,1-dioxothian-3-yl)-4-hydroxybenzamide?
The canonical SMILES for N-(1,1-dioxothian-3-yl)-4-hydroxybenzamide is O=C(NC1CCCS(=O)(=O)C1)c1ccc(O)cc1.
What is the InChIKey of N-(1,1-dioxothian-3-yl)-4-hydroxybenzamide?
The InChIKey is DFWVHBXYPJDNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c14-11-5-3-9(4-6-11)12(15)13-10-2-1-7-18(16,17)8-10/h3-6,10,14H,1-2,7-8H2,(H,13,15).
What are the key properties of N-(1,1-dioxothian-3-yl)-4-hydroxybenzamide?
N-(1,1-dioxothian-3-yl)-4-hydroxybenzamide 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 N-(1,1-dioxothian-3-yl)-4-hydroxybenzamide is sourced from PubChem (CID 63921781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).