5-chloro-N-methyl-2-sulfanylbenzamide

C8H8ClNOS — CID 123328239

IUPAC5-chloro-N-methyl-2-sulfanylbenzamide
SMILESCNC(=O)c1cc(Cl)ccc1S
InChIInChI=1S/C8H8ClNOS/c1-10-8(11)6-4-5(9)2-3-7(6)12/h2-4,12H,1H3,(H,10,11)
InChIKeyLTSWWUPOQZJCRI-UHFFFAOYSA-N
MW201.68 g/mol
LogP1.99
Rot. Bonds1

About 5-chloro-N-methyl-2-sulfanylbenzamide

5-chloro-N-methyl-2-sulfanylbenzamide (PubChem CID 123328239) has the molecular formula C8H8ClNOS and a molecular weight of 201.68 g/mol. Its IUPAC name is 5-chloro-N-methyl-2-sulfanylbenzamide.

Molecular Properties

Compound Name5-chloro-N-methyl-2-sulfanylbenzamide
PubChem CID123328239
Molecular FormulaC8H8ClNOS
Molecular Weight201.68 g/mol
Exact Mass201.00
IUPAC Name5-chloro-N-methyl-2-sulfanylbenzamide
SMILESCNC(=O)c1cc(Cl)ccc1S
InChIInChI=1S/C8H8ClNOS/c1-10-8(11)6-4-5(9)2-3-7(6)12/h2-4,12H,1H3,(H,10,11)
InChIKeyLTSWWUPOQZJCRI-UHFFFAOYSA-N
XLogP1.99
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.68
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 142083181
(2-chlorophenyl)-(5-chloro-2-sulfanylphenyl)methanone
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3,5-dichloro-N,2-dimethylbenzamide
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5-chloro-2-(2,2-dicyanoethenylamino)-N-methylbenzamide
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N-(4-chlorophenyl)-5-fluoro-2-sulfanylbenzamide
CID 70678515
2-amino-5-chloro-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 43574314
5-chloro-2-[2-(dicyanomethylidene)hydrazinyl]-N-methylbenzamide
CID 169338329
5-chloro-N-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide;hydrochloride
CID 119713991
[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]azanium chloride
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5-chloro-N-hydroxy-2-methylbenzamide
CID 82883226
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CID 120560026

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-2-sulfanylbenzamide?
The IUPAC name of 5-chloro-N-methyl-2-sulfanylbenzamide (CID 123328239) is 5-chloro-N-methyl-2-sulfanylbenzamide.
What is the SMILES notation for 5-chloro-N-methyl-2-sulfanylbenzamide?
The canonical SMILES for 5-chloro-N-methyl-2-sulfanylbenzamide is CNC(=O)c1cc(Cl)ccc1S.
What is the InChIKey of 5-chloro-N-methyl-2-sulfanylbenzamide?
The InChIKey is LTSWWUPOQZJCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNOS/c1-10-8(11)6-4-5(9)2-3-7(6)12/h2-4,12H,1H3,(H,10,11).
What are the key properties of 5-chloro-N-methyl-2-sulfanylbenzamide?
5-chloro-N-methyl-2-sulfanylbenzamide has a molecular weight of 201.68 g/mol, XLogP of 1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-2-sulfanylbenzamide is sourced from PubChem (CID 123328239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).