3,4,5-trihydroxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide

C20H18N2O7S — CID 45270984

IUPAC3,4,5-trihydroxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc(O)c(O)c(O)c3)cc2)cc1
InChIInChI=1S/C20H18N2O7S/c1-29-15-6-2-14(3-7-15)22-30(27,28)16-8-4-13(5-9-16)21-20(26)12-10-17(23)19(25)18(24)11-12/h2-11,22-25H,1H3,(H,21,26)
InChIKeyYGXVKVIBKZJSOZ-UHFFFAOYSA-N
MW430.44 g/mol
LogP2.87
Rot. Bonds6

About 3,4,5-trihydroxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide

3,4,5-trihydroxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide (PubChem CID 45270984) has the molecular formula C20H18N2O7S and a molecular weight of 430.44 g/mol. Its IUPAC name is 3,4,5-trihydroxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3,4,5-trihydroxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
PubChem CID45270984
Molecular FormulaC20H18N2O7S
Molecular Weight430.44 g/mol
Exact Mass430.08
IUPAC Name3,4,5-trihydroxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc(O)c(O)c(O)c3)cc2)cc1
InChIInChI=1S/C20H18N2O7S/c1-29-15-6-2-14(3-7-15)22-30(27,28)16-8-4-13(5-9-16)21-20(26)12-10-17(23)19(25)18(24)11-12/h2-11,22-25H,1H3,(H,21,26)
InChIKeyYGXVKVIBKZJSOZ-UHFFFAOYSA-N
XLogP2.87
TPSA145.19 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 52.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 3,4,5-trihydroxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide 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

N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-3,4,5-trihydroxy-benzamide
CID 44517716
N-[4-[(3-bromophenyl)sulfamoyl]phenyl]-3,4,5-trihydroxy-benzamide
CID 44517717
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4,5-trihydroxy-benzamide
CID 45271848
N-[4-[(3-chloro-2-fluoro-phenyl)sulfamoyl]phenyl]-3,4,5-trihydroxy-benzamide
CID 86573545
N-[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]-3,4,5-trihydroxy-benzamide
CID 45267567
N-[4-[(4-fluorophenyl)methylsulfamoyl]phenyl]-3,4,5-trihydroxy-benzamide
CID 45269308
[2,3-Diacetoxy-5-[[4-(phenylsulfamoyl)phenyl]carbamoyl]phenyl] acetate
CID 45269341
3,4,5-trihydroxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 45271856
4-(4-aminophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-1-(3,4,5-trihydroxybenzoyl)piperazine-2-carboxamide
CID 168274788
1-(4-aminophenyl)sulfonyl-N-phenyl-4-(3,4,5-trihydroxybenzoyl)piperazine-2-carboxamide
CID 168278191
4-(4-aminophenyl)sulfonyl-N-methyl-N-phenyl-1-(3,4,5-trihydroxybenzoyl)piperazine-2-carboxamide
CID 168280467
1-(4-aminophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-4-(3,4,5-trihydroxybenzoyl)piperazine-2-carboxamide
CID 168284166

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trihydroxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 3,4,5-trihydroxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide (CID 45270984) is 3,4,5-trihydroxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 3,4,5-trihydroxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 3,4,5-trihydroxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide is COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc(O)c(O)c(O)c3)cc2)cc1.
What is the InChIKey of 3,4,5-trihydroxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is YGXVKVIBKZJSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O7S/c1-29-15-6-2-14(3-7-15)22-30(27,28)16-8-4-13(5-9-16)21-20(26)12-10-17(23)19(25)18(24)11-12/h2-11,22-25H,1H3,(H,21,26).
What are the key properties of 3,4,5-trihydroxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide?
3,4,5-trihydroxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide has a molecular weight of 430.44 g/mol, XLogP of 2.87, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trihydroxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 45270984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).