4-hydroxy-N-(3-hydroxy-2-methylphenyl)benzenesulfonamide

C13H13NO4S — CID 25065487

IUPAC4-hydroxy-N-(3-hydroxy-2-methylphenyl)benzenesulfonamide
SMILESCc1c(O)cccc1NS(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C13H13NO4S/c1-9-12(3-2-4-13(9)16)14-19(17,18)11-7-5-10(15)6-8-11/h2-8,14-16H,1H3
InChIKeyNPYVNOCSOATJAU-UHFFFAOYSA-N
MW279.32 g/mol
LogP2.21
Rot. Bonds3

About 4-hydroxy-N-(3-hydroxy-2-methylphenyl)benzenesulfonamide

4-hydroxy-N-(3-hydroxy-2-methylphenyl)benzenesulfonamide (PubChem CID 25065487) has the molecular formula C13H13NO4S and a molecular weight of 279.32 g/mol. Its IUPAC name is 4-hydroxy-N-(3-hydroxy-2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-hydroxy-N-(3-hydroxy-2-methylphenyl)benzenesulfonamide
PubChem CID25065487
Molecular FormulaC13H13NO4S
Molecular Weight279.32 g/mol
Exact Mass279.06
IUPAC Name4-hydroxy-N-(3-hydroxy-2-methylphenyl)benzenesulfonamide
SMILESCc1c(O)cccc1NS(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C13H13NO4S/c1-9-12(3-2-4-13(9)16)14-19(17,18)11-7-5-10(15)6-8-11/h2-8,14-16H,1H3
InChIKeyNPYVNOCSOATJAU-UHFFFAOYSA-N
XLogP2.21
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-hydroxy-2-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 70133555
3-cyano-N-(3-hydroxy-2-methylphenyl)benzenesulfonamide
CID 64794037
1,1-difluoro-N-(3-hydroxy-2-methylphenyl)methanesulfonamide
CID 64792576
N-(3-hydroxy-2-methylphenyl)cyclopentanesulfonamide
CID 105361239
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
3-(4-hydroxyphenyl)sulfonyl-2-methylphenol
CID 101301592
3-hydroxy-N-(2-methyl-3-nitrophenyl)benzenesulfonamide
CID 107810881
N-(3-acetyl-2-methylphenyl)-4-bromobenzenesulfonamide
CID 91114116
3-bromo-N-(3-hydroxy-2-methylphenyl)thiophene-2-sulfonamide
CID 64793855
4-acetyl-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 7938770
N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 711089
4-[(3-chloro-2-methylphenyl)sulfamoyl]benzamide
CID 51263313

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(3-hydroxy-2-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-hydroxy-N-(3-hydroxy-2-methylphenyl)benzenesulfonamide (CID 25065487) is 4-hydroxy-N-(3-hydroxy-2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-hydroxy-N-(3-hydroxy-2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-hydroxy-N-(3-hydroxy-2-methylphenyl)benzenesulfonamide is Cc1c(O)cccc1NS(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-(3-hydroxy-2-methylphenyl)benzenesulfonamide?
The InChIKey is NPYVNOCSOATJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4S/c1-9-12(3-2-4-13(9)16)14-19(17,18)11-7-5-10(15)6-8-11/h2-8,14-16H,1H3.
What are the key properties of 4-hydroxy-N-(3-hydroxy-2-methylphenyl)benzenesulfonamide?
4-hydroxy-N-(3-hydroxy-2-methylphenyl)benzenesulfonamide has a molecular weight of 279.32 g/mol, XLogP of 2.21, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(3-hydroxy-2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 25065487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).