2-hydroxy-3-methyl-N-phenylbenzenesulfinamide

C13H13NO2S — CID 21135285

IUPAC2-hydroxy-3-methyl-N-phenylbenzenesulfinamide
SMILESCc1cccc(S(=O)Nc2ccccc2)c1O
InChIInChI=1S/C13H13NO2S/c1-10-6-5-9-12(13(10)15)17(16)14-11-7-3-2-4-8-11/h2-9,14-15H,1H3
InChIKeyVOMDTOPAOPRODI-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.84
Rot. Bonds3

About 2-hydroxy-3-methyl-N-phenylbenzenesulfinamide

2-hydroxy-3-methyl-N-phenylbenzenesulfinamide (PubChem CID 21135285) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-hydroxy-3-methyl-N-phenylbenzenesulfinamide.

Molecular Properties

Compound Name2-hydroxy-3-methyl-N-phenylbenzenesulfinamide
PubChem CID21135285
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name2-hydroxy-3-methyl-N-phenylbenzenesulfinamide
SMILESCc1cccc(S(=O)Nc2ccccc2)c1O
InChIInChI=1S/C13H13NO2S/c1-10-6-5-9-12(13(10)15)17(16)14-11-7-3-2-4-8-11/h2-9,14-15H,1H3
InChIKeyVOMDTOPAOPRODI-UHFFFAOYSA-N
XLogP2.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-3-methyl-N-phenylbenzenesulfinamide
CID 21135236
calcium bis(2-hydroxy-3-methylbenzenesulfinate)
CID 118541671
3-methylbenzene-1,2-diol;oxalic acid
CID 174606670
3-methylbenzene-1,2-diol
CID 135381405
(R)-N-phenylprop-1-yne-1-sulfinamide
CID 40532337
bis(2,6-dimethylphenol);2-methylphenol;phenol
CID 67931850
2-methyl-6-phenylphenol
CID 12592481
hydrogen peroxide;2-hydroxy-3-methylbenzoic acid
CID 161037568
2-amino-N-(4-methoxyphenyl)benzenesulfinamide
CID 143020889
(S)-N-(2,6-dimethylphenyl)-4-phenylbenzenesulfinamide
CID 171487084
benzene-1,2,3-triol;1,2-xylene
CID 175355365
methylsulfinylmethane;1,2,3-trimethylbenzene
CID 174947389

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methyl-N-phenylbenzenesulfinamide?
The IUPAC name of 2-hydroxy-3-methyl-N-phenylbenzenesulfinamide (CID 21135285) is 2-hydroxy-3-methyl-N-phenylbenzenesulfinamide.
What is the SMILES notation for 2-hydroxy-3-methyl-N-phenylbenzenesulfinamide?
The canonical SMILES for 2-hydroxy-3-methyl-N-phenylbenzenesulfinamide is Cc1cccc(S(=O)Nc2ccccc2)c1O.
What is the InChIKey of 2-hydroxy-3-methyl-N-phenylbenzenesulfinamide?
The InChIKey is VOMDTOPAOPRODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-10-6-5-9-12(13(10)15)17(16)14-11-7-3-2-4-8-11/h2-9,14-15H,1H3.
What are the key properties of 2-hydroxy-3-methyl-N-phenylbenzenesulfinamide?
2-hydroxy-3-methyl-N-phenylbenzenesulfinamide has a molecular weight of 247.32 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methyl-N-phenylbenzenesulfinamide is sourced from PubChem (CID 21135285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).