2-hydroxy-N-[5-(hydroxymethyl)-2-methylphenyl]-5-methylbenzenesulfonamide

C15H17NO4S — CID 56794472

IUPAC2-hydroxy-N-[5-(hydroxymethyl)-2-methylphenyl]-5-methylbenzenesulfonamide
SMILESCc1ccc(O)c(S(=O)(=O)Nc2cc(CO)ccc2C)c1
InChIInChI=1S/C15H17NO4S/c1-10-3-6-14(18)15(7-10)21(19,20)16-13-8-12(9-17)5-4-11(13)2/h3-8,16-18H,9H2,1-2H3
InChIKeyZURRRBWBOPYXMJ-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.30
Rot. Bonds4

About 2-hydroxy-N-[5-(hydroxymethyl)-2-methylphenyl]-5-methylbenzenesulfonamide

2-hydroxy-N-[5-(hydroxymethyl)-2-methylphenyl]-5-methylbenzenesulfonamide (PubChem CID 56794472) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is 2-hydroxy-N-[5-(hydroxymethyl)-2-methylphenyl]-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-hydroxy-N-[5-(hydroxymethyl)-2-methylphenyl]-5-methylbenzenesulfonamide
PubChem CID56794472
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC Name2-hydroxy-N-[5-(hydroxymethyl)-2-methylphenyl]-5-methylbenzenesulfonamide
SMILESCc1ccc(O)c(S(=O)(=O)Nc2cc(CO)ccc2C)c1
InChIInChI=1S/C15H17NO4S/c1-10-3-6-14(18)15(7-10)21(19,20)16-13-8-12(9-17)5-4-11(13)2/h3-8,16-18H,9H2,1-2H3
InChIKeyZURRRBWBOPYXMJ-UHFFFAOYSA-N
XLogP2.30
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[5-(hydroxymethyl)-2-methylphenyl]-2-methylbenzenesulfonamide
CID 111444685
2-chloro-N-[5-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide
CID 111444701
4-chloro-2-fluoro-N-[5-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide
CID 111444702
N-(4-hydroxy-2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 106831940
N-[4-(hydroxymethyl)-2-[(4-methylphenyl)sulfonylamino]phenyl]-3,4-dimethylbenzenesulfonamide
CID 144649563
5-bromo-N-[5-(hydroxymethyl)-2-methylphenyl]-2-methoxybenzenesulfonamide
CID 3825537
methyl 2-[[5-(hydroxymethyl)-2-methylphenyl]sulfamoyl]benzoate
CID 3685003
N-[5-(hydroxymethyl)-2-methylphenyl]quinoline-8-sulfonamide
CID 3338850
2-hydroxy-N,5-dimethylbenzenesulfonamide
CID 70460413
N-[5-(hydroxymethyl)-2-methylphenyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 111444697
N-(2-hydroxy-5-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 60918497
4-bromo-2,5-dichloro-N-[5-(hydroxymethyl)-2-methylphenyl]thiophene-3-sulfonamide
CID 3377394

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[5-(hydroxymethyl)-2-methylphenyl]-5-methylbenzenesulfonamide?
The IUPAC name of 2-hydroxy-N-[5-(hydroxymethyl)-2-methylphenyl]-5-methylbenzenesulfonamide (CID 56794472) is 2-hydroxy-N-[5-(hydroxymethyl)-2-methylphenyl]-5-methylbenzenesulfonamide.
What is the SMILES notation for 2-hydroxy-N-[5-(hydroxymethyl)-2-methylphenyl]-5-methylbenzenesulfonamide?
The canonical SMILES for 2-hydroxy-N-[5-(hydroxymethyl)-2-methylphenyl]-5-methylbenzenesulfonamide is Cc1ccc(O)c(S(=O)(=O)Nc2cc(CO)ccc2C)c1.
What is the InChIKey of 2-hydroxy-N-[5-(hydroxymethyl)-2-methylphenyl]-5-methylbenzenesulfonamide?
The InChIKey is ZURRRBWBOPYXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-10-3-6-14(18)15(7-10)21(19,20)16-13-8-12(9-17)5-4-11(13)2/h3-8,16-18H,9H2,1-2H3.
What are the key properties of 2-hydroxy-N-[5-(hydroxymethyl)-2-methylphenyl]-5-methylbenzenesulfonamide?
2-hydroxy-N-[5-(hydroxymethyl)-2-methylphenyl]-5-methylbenzenesulfonamide has a molecular weight of 307.37 g/mol, XLogP of 2.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[5-(hydroxymethyl)-2-methylphenyl]-5-methylbenzenesulfonamide is sourced from PubChem (CID 56794472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).