N-tert-butylsulfinylbenzamide

C11H15NO2S — CID 132577601

IUPACN-tert-butylsulfinylbenzamide
SMILESCC(C)(C)S(=O)NC(=O)c1ccccc1
InChIInChI=1S/C11H15NO2S/c1-11(2,3)15(14)12-10(13)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,12,13)
InChIKeyLFOHDEOCPXHLTJ-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.88
Rot. Bonds2

About N-tert-butylsulfinylbenzamide

N-tert-butylsulfinylbenzamide (PubChem CID 132577601) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is N-tert-butylsulfinylbenzamide.

Molecular Properties

Compound NameN-tert-butylsulfinylbenzamide
PubChem CID132577601
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC NameN-tert-butylsulfinylbenzamide
SMILESCC(C)(C)S(=O)NC(=O)c1ccccc1
InChIInChI=1S/C11H15NO2S/c1-11(2,3)15(14)12-10(13)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,12,13)
InChIKeyLFOHDEOCPXHLTJ-UHFFFAOYSA-N
XLogP1.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(R)-tert-butylsulfinyl]-2-hydroxybenzamide
CID 135034526
N'-(2-amino-2-methylpropanoyl)benzohydrazide
CID 67519847
N-methylbenzamide
CID 11954
(R)-N-(3,3-diphenylprop-2-enyl)-2-methylpropane-2-sulfinamide
CID 56969753
N'-(4-tert-butylphenyl)benzohydrazide
CID 2813094
N'-(3,3-dimethylbutanoyl)benzohydrazide
CID 24654425
benzoic acid;zirconium
CID 173089080
Lithium benzoate, 99%
CID 57451198
2-(2-benzoylhydrazinyl)-2-phenylpropanoic acid
CID 67684435
1-benzamido-3-tert-butylthiourea
CID 2743091
(2S)-2-(2-benzoylhydrazinyl)-2-phenylpropanoic acid
CID 57366194
N'-(2,2-dimethylbutanoyl)benzohydrazide
CID 129281767

Frequently Asked Questions

What is the IUPAC name of N-tert-butylsulfinylbenzamide?
The IUPAC name of N-tert-butylsulfinylbenzamide (CID 132577601) is N-tert-butylsulfinylbenzamide.
What is the SMILES notation for N-tert-butylsulfinylbenzamide?
The canonical SMILES for N-tert-butylsulfinylbenzamide is CC(C)(C)S(=O)NC(=O)c1ccccc1.
What is the InChIKey of N-tert-butylsulfinylbenzamide?
The InChIKey is LFOHDEOCPXHLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-11(2,3)15(14)12-10(13)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,12,13).
What are the key properties of N-tert-butylsulfinylbenzamide?
N-tert-butylsulfinylbenzamide has a molecular weight of 225.31 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylsulfinylbenzamide is sourced from PubChem (CID 132577601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).