4-chloro-N-(1,1-dioxothiolan-3-yl)-2-hydroxybenzamide

C11H12ClNO4S — CID 43176547

IUPAC4-chloro-N-(1,1-dioxothiolan-3-yl)-2-hydroxybenzamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1ccc(Cl)cc1O
InChIInChI=1S/C11H12ClNO4S/c12-7-1-2-9(10(14)5-7)11(15)13-8-3-4-18(16,17)6-8/h1-2,5,8,14H,3-4,6H2,(H,13,15)
InChIKeyJACRLUTZLJKSCK-UHFFFAOYSA-N
MW289.74 g/mol
LogP0.96
Rot. Bonds2

About 4-chloro-N-(1,1-dioxothiolan-3-yl)-2-hydroxybenzamide

4-chloro-N-(1,1-dioxothiolan-3-yl)-2-hydroxybenzamide (PubChem CID 43176547) has the molecular formula C11H12ClNO4S and a molecular weight of 289.74 g/mol. Its IUPAC name is 4-chloro-N-(1,1-dioxothiolan-3-yl)-2-hydroxybenzamide.

Molecular Properties

Compound Name4-chloro-N-(1,1-dioxothiolan-3-yl)-2-hydroxybenzamide
PubChem CID43176547
Molecular FormulaC11H12ClNO4S
Molecular Weight289.74 g/mol
Exact Mass289.02
IUPAC Name4-chloro-N-(1,1-dioxothiolan-3-yl)-2-hydroxybenzamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1ccc(Cl)cc1O
InChIInChI=1S/C11H12ClNO4S/c12-7-1-2-9(10(14)5-7)11(15)13-8-3-4-18(16,17)6-8/h1-2,5,8,14H,3-4,6H2,(H,13,15)
InChIKeyJACRLUTZLJKSCK-UHFFFAOYSA-N
XLogP0.96
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7090741
2,4-dichloro-N-(1,1-dioxothiolan-3-yl)benzamide
CID 3126628
2,5-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259782
5-chloro-N-(1,1-dioxothiolan-3-yl)-2-(methylamino)benzamide
CID 55042392
3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259712
N-(1,1-dioxothian-3-yl)-2-hydroxy-4-methylbenzamide
CID 63921974
N-(4-bromocyclohexyl)-4-chloro-2-hydroxybenzamide
CID 113274257
7-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 29133703
3-[(4-chloro-2-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66031335
N-(1,1-dioxothiolan-3-yl)-2,6-dihydroxybenzamide
CID 103749000
5-chloro-N-(1,1-dioxothian-3-yl)-2-(methylamino)benzamide
CID 63917316
N-[4-(bromomethyl)cyclohexyl]-4-chloro-2-hydroxybenzamide
CID 112753008

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1,1-dioxothiolan-3-yl)-2-hydroxybenzamide?
The IUPAC name of 4-chloro-N-(1,1-dioxothiolan-3-yl)-2-hydroxybenzamide (CID 43176547) is 4-chloro-N-(1,1-dioxothiolan-3-yl)-2-hydroxybenzamide.
What is the SMILES notation for 4-chloro-N-(1,1-dioxothiolan-3-yl)-2-hydroxybenzamide?
The canonical SMILES for 4-chloro-N-(1,1-dioxothiolan-3-yl)-2-hydroxybenzamide is O=C(NC1CCS(=O)(=O)C1)c1ccc(Cl)cc1O.
What is the InChIKey of 4-chloro-N-(1,1-dioxothiolan-3-yl)-2-hydroxybenzamide?
The InChIKey is JACRLUTZLJKSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO4S/c12-7-1-2-9(10(14)5-7)11(15)13-8-3-4-18(16,17)6-8/h1-2,5,8,14H,3-4,6H2,(H,13,15).
What are the key properties of 4-chloro-N-(1,1-dioxothiolan-3-yl)-2-hydroxybenzamide?
4-chloro-N-(1,1-dioxothiolan-3-yl)-2-hydroxybenzamide has a molecular weight of 289.74 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1,1-dioxothiolan-3-yl)-2-hydroxybenzamide is sourced from PubChem (CID 43176547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).