N-[5-(benzenesulfonyl)-4-hydroxy-2-methylphenyl]-4-methoxybenzenesulfonamide

C20H19NO6S2 — CID 3950292

IUPACN-[5-(benzenesulfonyl)-4-hydroxy-2-methylphenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)c3ccccc3)c(O)cc2C)cc1
InChIInChI=1S/C20H19NO6S2/c1-14-12-19(22)20(28(23,24)16-6-4-3-5-7-16)13-18(14)21-29(25,26)17-10-8-15(27-2)9-11-17/h3-13,21-22H,1-2H3
InChIKeyUDHZEAXIQZFASG-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.34
Rot. Bonds6

About N-[5-(benzenesulfonyl)-4-hydroxy-2-methylphenyl]-4-methoxybenzenesulfonamide

N-[5-(benzenesulfonyl)-4-hydroxy-2-methylphenyl]-4-methoxybenzenesulfonamide (PubChem CID 3950292) has the molecular formula C20H19NO6S2 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[5-(benzenesulfonyl)-4-hydroxy-2-methylphenyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(benzenesulfonyl)-4-hydroxy-2-methylphenyl]-4-methoxybenzenesulfonamide
PubChem CID3950292
Molecular FormulaC20H19NO6S2
Molecular Weight433.51 g/mol
Exact Mass433.07
IUPAC NameN-[5-(benzenesulfonyl)-4-hydroxy-2-methylphenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)c3ccccc3)c(O)cc2C)cc1
InChIInChI=1S/C20H19NO6S2/c1-14-12-19(22)20(28(23,24)16-6-4-3-5-7-16)13-18(14)21-29(25,26)17-10-8-15(27-2)9-11-17/h3-13,21-22H,1-2H3
InChIKeyUDHZEAXIQZFASG-UHFFFAOYSA-N
XLogP3.34
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(benzenesulfonyl)-4-hydroxy-2-methylphenyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[5-(benzenesulfonyl)-4-hydroxy-2-methylphenyl]-4-methoxybenzenesulfonamide (CID 3950292) is N-[5-(benzenesulfonyl)-4-hydroxy-2-methylphenyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[5-(benzenesulfonyl)-4-hydroxy-2-methylphenyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[5-(benzenesulfonyl)-4-hydroxy-2-methylphenyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)c3ccccc3)c(O)cc2C)cc1.
What is the InChIKey of N-[5-(benzenesulfonyl)-4-hydroxy-2-methylphenyl]-4-methoxybenzenesulfonamide?
The InChIKey is UDHZEAXIQZFASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO6S2/c1-14-12-19(22)20(28(23,24)16-6-4-3-5-7-16)13-18(14)21-29(25,26)17-10-8-15(27-2)9-11-17/h3-13,21-22H,1-2H3.
What are the key properties of N-[5-(benzenesulfonyl)-4-hydroxy-2-methylphenyl]-4-methoxybenzenesulfonamide?
N-[5-(benzenesulfonyl)-4-hydroxy-2-methylphenyl]-4-methoxybenzenesulfonamide has a molecular weight of 433.51 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(benzenesulfonyl)-4-hydroxy-2-methylphenyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 3950292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).