5-chloro-2-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide

C12H16ClNO3S — CID 113245885

IUPAC5-chloro-2-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide
SMILESCSCC(C)(O)CNC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C12H16ClNO3S/c1-12(17,7-18-2)6-14-11(16)9-5-8(13)3-4-10(9)15/h3-5,15,17H,6-7H2,1-2H3,(H,14,16)
InChIKeySLFQMBHKJSGXHY-UHFFFAOYSA-N
MW289.78 g/mol
LogP1.89
Rot. Bonds5

About 5-chloro-2-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide

5-chloro-2-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide (PubChem CID 113245885) has the molecular formula C12H16ClNO3S and a molecular weight of 289.78 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide
PubChem CID113245885
Molecular FormulaC12H16ClNO3S
Molecular Weight289.78 g/mol
Exact Mass289.05
IUPAC Name5-chloro-2-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide
SMILESCSCC(C)(O)CNC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C12H16ClNO3S/c1-12(17,7-18-2)6-14-11(16)9-5-8(13)3-4-10(9)15/h3-5,15,17H,6-7H2,1-2H3,(H,14,16)
InChIKeySLFQMBHKJSGXHY-UHFFFAOYSA-N
XLogP1.89
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide
CID 113239570
2,3,4-trifluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide
CID 103738048
3-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide
CID 113257057
4-bromo-3-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide
CID 113342863
2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamoyl]benzoic acid
CID 106244371
3-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-methylbenzamide
CID 103773567
2-bromo-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-methylbenzamide
CID 103773569
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,3-dimethylbenzamide
CID 103682088
5-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide
CID 103842862
2,5-dichloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 103839782
N-[(4-chlorophenyl)methyl]-N'-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]oxamide
CID 95984213
3-bromo-4-fluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide
CID 103707610

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide (CID 113245885) is 5-chloro-2-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide is CSCC(C)(O)CNC(=O)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-2-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide?
The InChIKey is SLFQMBHKJSGXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3S/c1-12(17,7-18-2)6-14-11(16)9-5-8(13)3-4-10(9)15/h3-5,15,17H,6-7H2,1-2H3,(H,14,16).
What are the key properties of 5-chloro-2-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide?
5-chloro-2-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide has a molecular weight of 289.78 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide is sourced from PubChem (CID 113245885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).