N-[4-hydroxy-5-(4-methoxyphenyl)sulfonyl-2-methylphenyl]benzenesulfonamide

C20H19NO6S2 — CID 3950293

IUPACN-[4-hydroxy-5-(4-methoxyphenyl)sulfonyl-2-methylphenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)c2cc(NS(=O)(=O)c3ccccc3)c(C)cc2O)cc1
InChIInChI=1S/C20H19NO6S2/c1-14-12-19(22)20(28(23,24)16-10-8-15(27-2)9-11-16)13-18(14)21-29(25,26)17-6-4-3-5-7-17/h3-13,21-22H,1-2H3
InChIKeyJVZAVKIHNDMAIZ-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.34
Rot. Bonds6

About N-[4-hydroxy-5-(4-methoxyphenyl)sulfonyl-2-methylphenyl]benzenesulfonamide

N-[4-hydroxy-5-(4-methoxyphenyl)sulfonyl-2-methylphenyl]benzenesulfonamide (PubChem CID 3950293) has the molecular formula C20H19NO6S2 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[4-hydroxy-5-(4-methoxyphenyl)sulfonyl-2-methylphenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-hydroxy-5-(4-methoxyphenyl)sulfonyl-2-methylphenyl]benzenesulfonamide
PubChem CID3950293
Molecular FormulaC20H19NO6S2
Molecular Weight433.51 g/mol
Exact Mass433.07
IUPAC NameN-[4-hydroxy-5-(4-methoxyphenyl)sulfonyl-2-methylphenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)c2cc(NS(=O)(=O)c3ccccc3)c(C)cc2O)cc1
InChIInChI=1S/C20H19NO6S2/c1-14-12-19(22)20(28(23,24)16-10-8-15(27-2)9-11-16)13-18(14)21-29(25,26)17-6-4-3-5-7-17/h3-13,21-22H,1-2H3
InChIKeyJVZAVKIHNDMAIZ-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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Related Compounds

N-[4-hydroxy-3-(4-methoxyphenyl)sulfonyl-2,5-dimethylphenyl]benzenesulfonamide
CID 3572838
N-[4-hydroxy-3-(4-methoxyphenyl)sulfonyl-5-methyl-2-propan-2-ylphenyl]benzenesulfonamide
CID 3950145
N-[3-(benzenesulfonyl)-4-hydroxy-5-propan-2-ylphenyl]-4-methoxybenzenesulfonamide
CID 3580331
4-methoxy-N-(5-methoxy-2-methylphenyl)benzenesulfonamide
CID 4564561
4-(4-methoxyphenyl)sulfonyl-5-methylbenzene-1,2-diol
CID 23312060
N-[5-(4-chlorophenyl)sulfonyl-4-hydroxy-2,3-dimethylphenyl]-4-methoxybenzenesulfonamide
CID 1259998
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
N-(5-fluoro-2-methylphenyl)-4-methoxybenzenesulfonamide
CID 6470178
N-(4-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide
CID 4995778
methyl 4-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate
CID 36525556
N-(5-methoxy-2-methylphenyl)-4-methylbenzenesulfonamide
CID 5146130
N-(3-chloro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 78995720

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-5-(4-methoxyphenyl)sulfonyl-2-methylphenyl]benzenesulfonamide?
The IUPAC name of N-[4-hydroxy-5-(4-methoxyphenyl)sulfonyl-2-methylphenyl]benzenesulfonamide (CID 3950293) is N-[4-hydroxy-5-(4-methoxyphenyl)sulfonyl-2-methylphenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-hydroxy-5-(4-methoxyphenyl)sulfonyl-2-methylphenyl]benzenesulfonamide?
The canonical SMILES for N-[4-hydroxy-5-(4-methoxyphenyl)sulfonyl-2-methylphenyl]benzenesulfonamide is COc1ccc(S(=O)(=O)c2cc(NS(=O)(=O)c3ccccc3)c(C)cc2O)cc1.
What is the InChIKey of N-[4-hydroxy-5-(4-methoxyphenyl)sulfonyl-2-methylphenyl]benzenesulfonamide?
The InChIKey is JVZAVKIHNDMAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO6S2/c1-14-12-19(22)20(28(23,24)16-10-8-15(27-2)9-11-16)13-18(14)21-29(25,26)17-6-4-3-5-7-17/h3-13,21-22H,1-2H3.
What are the key properties of N-[4-hydroxy-5-(4-methoxyphenyl)sulfonyl-2-methylphenyl]benzenesulfonamide?
N-[4-hydroxy-5-(4-methoxyphenyl)sulfonyl-2-methylphenyl]benzenesulfonamide 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-[4-hydroxy-5-(4-methoxyphenyl)sulfonyl-2-methylphenyl]benzenesulfonamide is sourced from PubChem (CID 3950293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).