N,N-diethyl-4-(hydroxymethyl)-3-[[3-(hydroxymethyl)-5-methoxyphenyl]sulfonylamino]benzenesulfonamide

C19H26N2O7S2 — CID 171717431

IUPACN,N-diethyl-4-(hydroxymethyl)-3-[[3-(hydroxymethyl)-5-methoxyphenyl]sulfonylamino]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CO)c(NS(=O)(=O)c2cc(CO)cc(OC)c2)c1
InChIInChI=1S/C19H26N2O7S2/c1-4-21(5-2)30(26,27)17-7-6-15(13-23)19(11-17)20-29(24,25)18-9-14(12-22)8-16(10-18)28-3/h6-11,20,22-23H,4-5,12-13H2,1-3H3
InChIKeyVZTYDWFZOIZXNJ-UHFFFAOYSA-N
MW458.56 g/mol
LogP1.51
Rot. Bonds10

About N,N-diethyl-4-(hydroxymethyl)-3-[[3-(hydroxymethyl)-5-methoxyphenyl]sulfonylamino]benzenesulfonamide

N,N-diethyl-4-(hydroxymethyl)-3-[[3-(hydroxymethyl)-5-methoxyphenyl]sulfonylamino]benzenesulfonamide (PubChem CID 171717431) has the molecular formula C19H26N2O7S2 and a molecular weight of 458.56 g/mol. Its IUPAC name is N,N-diethyl-4-(hydroxymethyl)-3-[[3-(hydroxymethyl)-5-methoxyphenyl]sulfonylamino]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-(hydroxymethyl)-3-[[3-(hydroxymethyl)-5-methoxyphenyl]sulfonylamino]benzenesulfonamide
PubChem CID171717431
Molecular FormulaC19H26N2O7S2
Molecular Weight458.56 g/mol
Exact Mass458.12
IUPAC NameN,N-diethyl-4-(hydroxymethyl)-3-[[3-(hydroxymethyl)-5-methoxyphenyl]sulfonylamino]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CO)c(NS(=O)(=O)c2cc(CO)cc(OC)c2)c1
InChIInChI=1S/C19H26N2O7S2/c1-4-21(5-2)30(26,27)17-7-6-15(13-23)19(11-17)20-29(24,25)18-9-14(12-22)8-16(10-18)28-3/h6-11,20,22-23H,4-5,12-13H2,1-3H3
InChIKeyVZTYDWFZOIZXNJ-UHFFFAOYSA-N
XLogP1.51
TPSA133.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N,N-diethyl-4-(hydroxymethyl)-3-[[3-(hydroxymethyl)-5-methoxyphenyl]sulfonylamino]benzenesulfonamide 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-(diethylsulfamoyl)-N-[(3,5-dimethoxyphenyl)methyl]benzamide
CID 46586645
methyl 4-[[5-(diethylsulfamoyl)-2-methylphenyl]sulfamoyl]benzoate
CID 24510131
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(3-methoxyphenyl)acetamide
CID 26423088
N,N-diethyl-4-methoxy-3-(methylamino)benzenesulfonamide
CID 35582178
3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,N-diethyl-4-methoxybenzenesulfonamide
CID 3763909
4-bromo-N,N-diethyl-3-methoxybenzenesulfonamide
CID 850059
[3-(diethylsulfamoyl)-5-methoxyphenyl]boronic acid
CID 127255480
N-[5-[[5-(diethylsulfamoyl)-2,3-dimethylphenyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 24580932
N,N-diethyl-4-methoxy-3-[(3-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 2952239
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-difluorobenzenesulfonamide
CID 3735954
N,N-diethyl-3-[(4-methoxy-3-nitrophenyl)sulfonylamino]-4,5-dimethylbenzenesulfonamide
CID 24580921
(2R)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-methoxyphenoxy)propanamide
CID 41477177

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(hydroxymethyl)-3-[[3-(hydroxymethyl)-5-methoxyphenyl]sulfonylamino]benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-(hydroxymethyl)-3-[[3-(hydroxymethyl)-5-methoxyphenyl]sulfonylamino]benzenesulfonamide (CID 171717431) is N,N-diethyl-4-(hydroxymethyl)-3-[[3-(hydroxymethyl)-5-methoxyphenyl]sulfonylamino]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-(hydroxymethyl)-3-[[3-(hydroxymethyl)-5-methoxyphenyl]sulfonylamino]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-(hydroxymethyl)-3-[[3-(hydroxymethyl)-5-methoxyphenyl]sulfonylamino]benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(CO)c(NS(=O)(=O)c2cc(CO)cc(OC)c2)c1.
What is the InChIKey of N,N-diethyl-4-(hydroxymethyl)-3-[[3-(hydroxymethyl)-5-methoxyphenyl]sulfonylamino]benzenesulfonamide?
The InChIKey is VZTYDWFZOIZXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O7S2/c1-4-21(5-2)30(26,27)17-7-6-15(13-23)19(11-17)20-29(24,25)18-9-14(12-22)8-16(10-18)28-3/h6-11,20,22-23H,4-5,12-13H2,1-3H3.
What are the key properties of N,N-diethyl-4-(hydroxymethyl)-3-[[3-(hydroxymethyl)-5-methoxyphenyl]sulfonylamino]benzenesulfonamide?
N,N-diethyl-4-(hydroxymethyl)-3-[[3-(hydroxymethyl)-5-methoxyphenyl]sulfonylamino]benzenesulfonamide has a molecular weight of 458.56 g/mol, XLogP of 1.51, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(hydroxymethyl)-3-[[3-(hydroxymethyl)-5-methoxyphenyl]sulfonylamino]benzenesulfonamide is sourced from PubChem (CID 171717431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).