N-[(R)-tert-butylsulfinyl]-2-hydroxybenzamide

C11H15NO3S — CID 135034526

IUPACN-[(R)-tert-butylsulfinyl]-2-hydroxybenzamide
SMILESCC(C)(C)[S@@](=O)NC(=O)c1ccccc1O
InChIInChI=1S/C11H15NO3S/c1-11(2,3)16(15)12-10(14)8-6-4-5-7-9(8)13/h4-7,13H,1-3H3,(H,12,14)/t16-/m1/s1
InChIKeyMDDGWWIYIJNMJG-MRXNPFEDSA-N
MW241.31 g/mol
LogP1.58
Rot. Bonds2

About N-[(R)-tert-butylsulfinyl]-2-hydroxybenzamide

N-[(R)-tert-butylsulfinyl]-2-hydroxybenzamide (PubChem CID 135034526) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is N-[(R)-tert-butylsulfinyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(R)-tert-butylsulfinyl]-2-hydroxybenzamide
PubChem CID135034526
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC NameN-[(R)-tert-butylsulfinyl]-2-hydroxybenzamide
SMILESCC(C)(C)[S@@](=O)NC(=O)c1ccccc1O
InChIInChI=1S/C11H15NO3S/c1-11(2,3)16(15)12-10(14)8-6-4-5-7-9(8)13/h4-7,13H,1-3H3,(H,12,14)/t16-/m1/s1
InChIKeyMDDGWWIYIJNMJG-MRXNPFEDSA-N
XLogP1.58
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-hydroxybenzamide
CID 139189948
2-tert-butyl-N'-(2-hydroxybenzoyl)benzohydrazide
CID 66844777
N'-(2,2-dimethylpropyl)-2-hydroxybenzohydrazide
CID 1275966
N,2-dihydroxybenzamide;ethane
CID 91440405
2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 54943331
1-(2-hydroxyphenyl)-2,2-dimethylpropan-1-one
CID 11586385
1-N',3-N'-bis(2-hydroxybenzoyl)propanedihydrazide
CID 21348404
N-(2,2-dimethylbutyl)-2-hydroxybenzamide
CID 103461996
2-hydroxy-N'-propanoylbenzohydrazide
CID 15893878
bis(1-(2-hydroxyphenyl)ethanone);zirconium
CID 87865139
CID 71111006
CID 71111006
ethane;2-hydroxy-N-phenylbenzamide
CID 54170056

Frequently Asked Questions

What is the IUPAC name of N-[(R)-tert-butylsulfinyl]-2-hydroxybenzamide?
The IUPAC name of N-[(R)-tert-butylsulfinyl]-2-hydroxybenzamide (CID 135034526) is N-[(R)-tert-butylsulfinyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[(R)-tert-butylsulfinyl]-2-hydroxybenzamide?
The canonical SMILES for N-[(R)-tert-butylsulfinyl]-2-hydroxybenzamide is CC(C)(C)[S@@](=O)NC(=O)c1ccccc1O.
What is the InChIKey of N-[(R)-tert-butylsulfinyl]-2-hydroxybenzamide?
The InChIKey is MDDGWWIYIJNMJG-MRXNPFEDSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-11(2,3)16(15)12-10(14)8-6-4-5-7-9(8)13/h4-7,13H,1-3H3,(H,12,14)/t16-/m1/s1.
What are the key properties of N-[(R)-tert-butylsulfinyl]-2-hydroxybenzamide?
N-[(R)-tert-butylsulfinyl]-2-hydroxybenzamide has a molecular weight of 241.31 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-tert-butylsulfinyl]-2-hydroxybenzamide is sourced from PubChem (CID 135034526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).