N-(3-hydroxyphenyl)-2-methylbenzenesulfonamide

C13H13NO3S — CID 836778

IUPACN-(3-hydroxyphenyl)-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1cccc(O)c1
InChIInChI=1S/C13H13NO3S/c1-10-5-2-3-8-13(10)18(16,17)14-11-6-4-7-12(15)9-11/h2-9,14-15H,1H3
InChIKeyLYAFTCKSNKIMAI-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.50
Rot. Bonds3

About N-(3-hydroxyphenyl)-2-methylbenzenesulfonamide

N-(3-hydroxyphenyl)-2-methylbenzenesulfonamide (PubChem CID 836778) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-2-methylbenzenesulfonamide
PubChem CID836778
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC NameN-(3-hydroxyphenyl)-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1cccc(O)c1
InChIInChI=1S/C13H13NO3S/c1-10-5-2-3-8-13(10)18(16,17)14-11-6-4-7-12(15)9-11/h2-9,14-15H,1H3
InChIKeyLYAFTCKSNKIMAI-UHFFFAOYSA-N
XLogP2.50
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-2-methylbenzenesulfonamide?
The IUPAC name of N-(3-hydroxyphenyl)-2-methylbenzenesulfonamide (CID 836778) is N-(3-hydroxyphenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for N-(3-hydroxyphenyl)-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)Nc1cccc(O)c1.
What is the InChIKey of N-(3-hydroxyphenyl)-2-methylbenzenesulfonamide?
The InChIKey is LYAFTCKSNKIMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-10-5-2-3-8-13(10)18(16,17)14-11-6-4-7-12(15)9-11/h2-9,14-15H,1H3.
What are the key properties of N-(3-hydroxyphenyl)-2-methylbenzenesulfonamide?
N-(3-hydroxyphenyl)-2-methylbenzenesulfonamide has a molecular weight of 263.32 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 836778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).