N-[3-(benzenesulfonyl)-4-hydroxy-5-methylphenyl]-4-methoxybenzenesulfonamide

C20H19NO6S2 — CID 3236547

IUPACN-[3-(benzenesulfonyl)-4-hydroxy-5-methylphenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(S(=O)(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C20H19NO6S2/c1-14-12-15(21-29(25,26)18-10-8-16(27-2)9-11-18)13-19(20(14)22)28(23,24)17-6-4-3-5-7-17/h3-13,21-22H,1-2H3
InChIKeyHKDMOZFCKKPGOC-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.34
Rot. Bonds6

About N-[3-(benzenesulfonyl)-4-hydroxy-5-methylphenyl]-4-methoxybenzenesulfonamide

N-[3-(benzenesulfonyl)-4-hydroxy-5-methylphenyl]-4-methoxybenzenesulfonamide (PubChem CID 3236547) has the molecular formula C20H19NO6S2 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[3-(benzenesulfonyl)-4-hydroxy-5-methylphenyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(benzenesulfonyl)-4-hydroxy-5-methylphenyl]-4-methoxybenzenesulfonamide
PubChem CID3236547
Molecular FormulaC20H19NO6S2
Molecular Weight433.51 g/mol
Exact Mass433.07
IUPAC NameN-[3-(benzenesulfonyl)-4-hydroxy-5-methylphenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(S(=O)(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C20H19NO6S2/c1-14-12-15(21-29(25,26)18-10-8-16(27-2)9-11-18)13-19(20(14)22)28(23,24)17-6-4-3-5-7-17/h3-13,21-22H,1-2H3
InChIKeyHKDMOZFCKKPGOC-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'}

Analyze N-[3-(benzenesulfonyl)-4-hydroxy-5-methylphenyl]-4-methoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(4-{[(4-Ethoxyphenyl)sulfonyl]amino}-1-hydroxy-2-naphthyl)sulfanyl]acetic acid
CID 992589
2-[1-Hydroxy-4-[(4-methoxyphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid
CID 2058961
4-chloro-N-{4-hydroxy-3-[(4-methoxyphenyl)sulfonyl]-5-methyl-2-(propan-2-yl)phenyl}benzenesulfonamide
CID 1242648
2-[(4-Methylphenyl)sulfonyl]-4-{[(4-methylphenyl)sulfonyl]amino}phenol
CID 1271426
N-{4-hydroxy-3-methyl-5-[(4-methylphenyl)sulfonyl]phenyl}-4-methylbenzenesulfonamide
CID 2230995
N-{4-hydroxy-3-[(4-methoxyphenyl)sulfonyl]-2,6-dimethylphenyl}benzenesulfonamide
CID 3503048
N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)-4-methoxybenzenesulfonamide
CID 2212161
4-[(4-hydroxy-3,5-dimethylphenyl)diazenyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 136174597
[4-Hydroxy-3-(4-methylphenylthio)naphthyl][(4-methoxyphenyl)sulfonyl]amine
CID 1184137
4-ethoxy-N-[4-hydroxy-3-(4-methylphenyl)sulfanylnaphthalen-1-yl]benzenesulfonamide
CID 2486095
N-{4-hydroxy-3-[(4-methoxyphenyl)sulfonyl]-2,5-dimethylphenyl}benzenesulfonamide
CID 3572838
4-chloro-N-{4-hydroxy-5-[(4-methoxyphenyl)sulfonyl]-2,3-dimethylphenyl}benzenesulfonamide
CID 3950300

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzenesulfonyl)-4-hydroxy-5-methylphenyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[3-(benzenesulfonyl)-4-hydroxy-5-methylphenyl]-4-methoxybenzenesulfonamide (CID 3236547) is N-[3-(benzenesulfonyl)-4-hydroxy-5-methylphenyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[3-(benzenesulfonyl)-4-hydroxy-5-methylphenyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[3-(benzenesulfonyl)-4-hydroxy-5-methylphenyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(S(=O)(=O)c3ccccc3)c2)cc1.
What is the InChIKey of N-[3-(benzenesulfonyl)-4-hydroxy-5-methylphenyl]-4-methoxybenzenesulfonamide?
The InChIKey is HKDMOZFCKKPGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO6S2/c1-14-12-15(21-29(25,26)18-10-8-16(27-2)9-11-18)13-19(20(14)22)28(23,24)17-6-4-3-5-7-17/h3-13,21-22H,1-2H3.
What are the key properties of N-[3-(benzenesulfonyl)-4-hydroxy-5-methylphenyl]-4-methoxybenzenesulfonamide?
N-[3-(benzenesulfonyl)-4-hydroxy-5-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-[3-(benzenesulfonyl)-4-hydroxy-5-methylphenyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 3236547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).