5-chloro-2-hydroxy-N-sulfanylbenzamide

C7H6ClNO2S — CID 130240285

IUPAC5-chloro-2-hydroxy-N-sulfanylbenzamide
SMILESO=C(NS)c1cc(Cl)ccc1O
InChIInChI=1S/C7H6ClNO2S/c8-4-1-2-6(10)5(3-4)7(11)9-12/h1-3,10,12H,(H,9,11)
InChIKeyVBGIOEDRCVKQMB-UHFFFAOYSA-N
MW203.65 g/mol
LogP1.62
Rot. Bonds1

About 5-chloro-2-hydroxy-N-sulfanylbenzamide

5-chloro-2-hydroxy-N-sulfanylbenzamide (PubChem CID 130240285) has the molecular formula C7H6ClNO2S and a molecular weight of 203.65 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-sulfanylbenzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-sulfanylbenzamide
PubChem CID130240285
Molecular FormulaC7H6ClNO2S
Molecular Weight203.65 g/mol
Exact Mass202.98
IUPAC Name5-chloro-2-hydroxy-N-sulfanylbenzamide
SMILESO=C(NS)c1cc(Cl)ccc1O
InChIInChI=1S/C7H6ClNO2S/c8-4-1-2-6(10)5(3-4)7(11)9-12/h1-3,10,12H,(H,9,11)
InChIKeyVBGIOEDRCVKQMB-UHFFFAOYSA-N
XLogP1.62
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.65
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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5-chloro-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide
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5-chloro-2-hydroxy-N-(2-methylprop-2-enyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-sulfanylbenzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-sulfanylbenzamide (CID 130240285) is 5-chloro-2-hydroxy-N-sulfanylbenzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-sulfanylbenzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-sulfanylbenzamide is O=C(NS)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-2-hydroxy-N-sulfanylbenzamide?
The InChIKey is VBGIOEDRCVKQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO2S/c8-4-1-2-6(10)5(3-4)7(11)9-12/h1-3,10,12H,(H,9,11).
What are the key properties of 5-chloro-2-hydroxy-N-sulfanylbenzamide?
5-chloro-2-hydroxy-N-sulfanylbenzamide has a molecular weight of 203.65 g/mol, XLogP of 1.62, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-sulfanylbenzamide is sourced from PubChem (CID 130240285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).