N-(3-hydroxy-2,4-dimethylphenyl)benzenesulfonamide

C14H15NO3S — CID 44568854

IUPACN-(3-hydroxy-2,4-dimethylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccccc2)c(C)c1O
InChIInChI=1S/C14H15NO3S/c1-10-8-9-13(11(2)14(10)16)15-19(17,18)12-6-4-3-5-7-12/h3-9,15-16H,1-2H3
InChIKeyQZCSZLRPQMUQFX-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.81
Rot. Bonds3

About N-(3-hydroxy-2,4-dimethylphenyl)benzenesulfonamide

N-(3-hydroxy-2,4-dimethylphenyl)benzenesulfonamide (PubChem CID 44568854) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-(3-hydroxy-2,4-dimethylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,4-dimethylphenyl)benzenesulfonamide
PubChem CID44568854
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC NameN-(3-hydroxy-2,4-dimethylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccccc2)c(C)c1O
InChIInChI=1S/C14H15NO3S/c1-10-8-9-13(11(2)14(10)16)15-19(17,18)12-6-4-3-5-7-12/h3-9,15-16H,1-2H3
InChIKeyQZCSZLRPQMUQFX-UHFFFAOYSA-N
XLogP2.81
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,4-dimethylphenyl)benzenesulfonamide?
The IUPAC name of N-(3-hydroxy-2,4-dimethylphenyl)benzenesulfonamide (CID 44568854) is N-(3-hydroxy-2,4-dimethylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(3-hydroxy-2,4-dimethylphenyl)benzenesulfonamide?
The canonical SMILES for N-(3-hydroxy-2,4-dimethylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccccc2)c(C)c1O.
What is the InChIKey of N-(3-hydroxy-2,4-dimethylphenyl)benzenesulfonamide?
The InChIKey is QZCSZLRPQMUQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-10-8-9-13(11(2)14(10)16)15-19(17,18)12-6-4-3-5-7-12/h3-9,15-16H,1-2H3.
What are the key properties of N-(3-hydroxy-2,4-dimethylphenyl)benzenesulfonamide?
N-(3-hydroxy-2,4-dimethylphenyl)benzenesulfonamide has a molecular weight of 277.35 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,4-dimethylphenyl)benzenesulfonamide is sourced from PubChem (CID 44568854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).