N-(1,1-dioxothiolan-3-yl)-2,6-dihydroxybenzamide

C11H13NO5S — CID 103749000

IUPACN-(1,1-dioxothiolan-3-yl)-2,6-dihydroxybenzamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1c(O)cccc1O
InChIInChI=1S/C11H13NO5S/c13-8-2-1-3-9(14)10(8)11(15)12-7-4-5-18(16,17)6-7/h1-3,7,13-14H,4-6H2,(H,12,15)
InChIKeyPPVVPUYGQAOOSQ-UHFFFAOYSA-N
MW271.29 g/mol
LogP0.01
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)-2,6-dihydroxybenzamide

N-(1,1-dioxothiolan-3-yl)-2,6-dihydroxybenzamide (PubChem CID 103749000) has the molecular formula C11H13NO5S and a molecular weight of 271.29 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2,6-dihydroxybenzamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2,6-dihydroxybenzamide
PubChem CID103749000
Molecular FormulaC11H13NO5S
Molecular Weight271.29 g/mol
Exact Mass271.05
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2,6-dihydroxybenzamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1c(O)cccc1O
InChIInChI=1S/C11H13NO5S/c13-8-2-1-3-9(14)10(8)11(15)12-7-4-5-18(16,17)6-7/h1-3,7,13-14H,4-6H2,(H,12,15)
InChIKeyPPVVPUYGQAOOSQ-UHFFFAOYSA-N
XLogP0.01
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 40634625
N-[(3S)-1,1-dioxothiolan-3-yl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 7346492
3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259712
N-(1,1-dioxothiolan-3-yl)-3-hydroxy-4-methylbenzamide
CID 43176544
2-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259720
1-(1,1-dioxothiolan-3-yl)-3-(2-hydroxyphenyl)urea
CID 102566980
4-chloro-N-(1,1-dioxothiolan-3-yl)-2-hydroxybenzamide
CID 43176547
4-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7083020
3-amino-N-(1,1-dioxothiolan-3-yl)-2,6-difluorobenzamide
CID 79772868
3-bromo-2-chloro-N-(1,1-dioxothiolan-3-yl)benzamide
CID 103980277
N-cyclopent-3-en-1-yl-2,6-dihydroxybenzamide
CID 103890634
3-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 51240308

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2,6-dihydroxybenzamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2,6-dihydroxybenzamide (CID 103749000) is N-(1,1-dioxothiolan-3-yl)-2,6-dihydroxybenzamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2,6-dihydroxybenzamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2,6-dihydroxybenzamide is O=C(NC1CCS(=O)(=O)C1)c1c(O)cccc1O.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2,6-dihydroxybenzamide?
The InChIKey is PPVVPUYGQAOOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5S/c13-8-2-1-3-9(14)10(8)11(15)12-7-4-5-18(16,17)6-7/h1-3,7,13-14H,4-6H2,(H,12,15).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2,6-dihydroxybenzamide?
N-(1,1-dioxothiolan-3-yl)-2,6-dihydroxybenzamide has a molecular weight of 271.29 g/mol, XLogP of 0.01, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2,6-dihydroxybenzamide is sourced from PubChem (CID 103749000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).