N-(3-hydroxy-2-methylphenyl)-3-methylsulfonylbenzamide

C15H15NO4S — CID 64792707

IUPACN-(3-hydroxy-2-methylphenyl)-3-methylsulfonylbenzamide
SMILESCc1c(O)cccc1NC(=O)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C15H15NO4S/c1-10-13(7-4-8-14(10)17)16-15(18)11-5-3-6-12(9-11)21(2,19)20/h3-9,17H,1-2H3,(H,16,18)
InChIKeyTUVJCISDADDFDA-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.36
Rot. Bonds3

About N-(3-hydroxy-2-methylphenyl)-3-methylsulfonylbenzamide

N-(3-hydroxy-2-methylphenyl)-3-methylsulfonylbenzamide (PubChem CID 64792707) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylphenyl)-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylphenyl)-3-methylsulfonylbenzamide
PubChem CID64792707
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC NameN-(3-hydroxy-2-methylphenyl)-3-methylsulfonylbenzamide
SMILESCc1c(O)cccc1NC(=O)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C15H15NO4S/c1-10-13(7-4-8-14(10)17)16-15(18)11-5-3-6-12(9-11)21(2,19)20/h3-9,17H,1-2H3,(H,16,18)
InChIKeyTUVJCISDADDFDA-UHFFFAOYSA-N
XLogP2.36
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(3-hydroxy-2-methylphenyl)benzamide
CID 64793442
N-(6-chloro-2-methyl-3-pyridinyl)-3-methylsulfonylbenzamide
CID 107301164
N-(2-bromo-3-chlorophenyl)-3-methylsulfonylbenzamide
CID 103480003
N-(5-chloro-2-fluorophenyl)-3-methylsulfonylbenzamide
CID 51149042
N-hydroxy-3-methylsulfonylbenzamide
CID 24692724
N-(3-iodophenyl)-3-methylsulfonylbenzamide
CID 16545735
3-methylsulfonyl-N-(4-sulfamoylphenyl)benzamide
CID 7565696
N-(4-amino-2-chlorophenyl)-3-methylsulfonylbenzamide
CID 16773286
N-bromo-3-methylsulfonylbenzamide
CID 174925666
3,5-dichloro-N-(3-hydroxy-2-methylphenyl)benzamide
CID 64793609
3-methyl-N-(3-methylsulfonylphenyl)benzamide
CID 17416178
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylsulfonylbenzamide
CID 115594880

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylphenyl)-3-methylsulfonylbenzamide?
The IUPAC name of N-(3-hydroxy-2-methylphenyl)-3-methylsulfonylbenzamide (CID 64792707) is N-(3-hydroxy-2-methylphenyl)-3-methylsulfonylbenzamide.
What is the SMILES notation for N-(3-hydroxy-2-methylphenyl)-3-methylsulfonylbenzamide?
The canonical SMILES for N-(3-hydroxy-2-methylphenyl)-3-methylsulfonylbenzamide is Cc1c(O)cccc1NC(=O)c1cccc(S(C)(=O)=O)c1.
What is the InChIKey of N-(3-hydroxy-2-methylphenyl)-3-methylsulfonylbenzamide?
The InChIKey is TUVJCISDADDFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-10-13(7-4-8-14(10)17)16-15(18)11-5-3-6-12(9-11)21(2,19)20/h3-9,17H,1-2H3,(H,16,18).
What are the key properties of N-(3-hydroxy-2-methylphenyl)-3-methylsulfonylbenzamide?
N-(3-hydroxy-2-methylphenyl)-3-methylsulfonylbenzamide has a molecular weight of 305.36 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylphenyl)-3-methylsulfonylbenzamide is sourced from PubChem (CID 64792707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).