5-chloro-2-hydroxy-N-(4-methylsulfinylbutan-2-yl)benzamide

C12H16ClNO3S — CID 113248423

IUPAC5-chloro-2-hydroxy-N-(4-methylsulfinylbutan-2-yl)benzamide
SMILESCC(CCS(C)=O)NC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C12H16ClNO3S/c1-8(5-6-18(2)17)14-12(16)10-7-9(13)3-4-11(10)15/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
InChIKeyXNNYYHTWCOKRGJ-UHFFFAOYSA-N
MW289.78 g/mol
LogP1.93
Rot. Bonds5

About 5-chloro-2-hydroxy-N-(4-methylsulfinylbutan-2-yl)benzamide

5-chloro-2-hydroxy-N-(4-methylsulfinylbutan-2-yl)benzamide (PubChem CID 113248423) has the molecular formula C12H16ClNO3S and a molecular weight of 289.78 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-(4-methylsulfinylbutan-2-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-(4-methylsulfinylbutan-2-yl)benzamide
PubChem CID113248423
Molecular FormulaC12H16ClNO3S
Molecular Weight289.78 g/mol
Exact Mass289.05
IUPAC Name5-chloro-2-hydroxy-N-(4-methylsulfinylbutan-2-yl)benzamide
SMILESCC(CCS(C)=O)NC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C12H16ClNO3S/c1-8(5-6-18(2)17)14-12(16)10-7-9(13)3-4-11(10)15/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
InChIKeyXNNYYHTWCOKRGJ-UHFFFAOYSA-N
XLogP1.93
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-hydroxy-N-(4-methylsulfinylbutan-2-yl)benzamide
CID 103722599
5-chloro-N-(1-chloropropan-2-yl)-2-hydroxybenzamide
CID 114299358
2-[(5-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid
CID 43185166
5-chloro-2-hydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 61217192
5-chloro-N-[1-(furan-2-yl)propan-2-yl]-2-hydroxybenzamide
CID 47168819
2-[(5-chloro-2-hydroxybenzoyl)amino]-3-methylbutanoic acid
CID 43185169
2,4-diamino-N-(4-methylsulfinylbutan-2-yl)benzamide
CID 113493375
5-chloro-N-(1-cyclopropylethyl)-2-hydroxybenzamide
CID 43401499
5-chloro-2-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 43402430
2-amino-5-chloro-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide
CID 114924604
N-(4-bromobutan-2-yl)-2,5-dichlorobenzamide
CID 83179376
5-chloro-N-(4-hydroxybutan-2-yl)-2-methylbenzamide
CID 115532903

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-(4-methylsulfinylbutan-2-yl)benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-(4-methylsulfinylbutan-2-yl)benzamide (CID 113248423) is 5-chloro-2-hydroxy-N-(4-methylsulfinylbutan-2-yl)benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-(4-methylsulfinylbutan-2-yl)benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-(4-methylsulfinylbutan-2-yl)benzamide is CC(CCS(C)=O)NC(=O)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-2-hydroxy-N-(4-methylsulfinylbutan-2-yl)benzamide?
The InChIKey is XNNYYHTWCOKRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3S/c1-8(5-6-18(2)17)14-12(16)10-7-9(13)3-4-11(10)15/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16).
What are the key properties of 5-chloro-2-hydroxy-N-(4-methylsulfinylbutan-2-yl)benzamide?
5-chloro-2-hydroxy-N-(4-methylsulfinylbutan-2-yl)benzamide has a molecular weight of 289.78 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-(4-methylsulfinylbutan-2-yl)benzamide is sourced from PubChem (CID 113248423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).