3,4-diethoxy-N-(4-sulfamoylphenyl)benzenesulfonamide

C16H20N2O6S2 — CID 27658093

IUPAC3,4-diethoxy-N-(4-sulfamoylphenyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1OCC
InChIInChI=1S/C16H20N2O6S2/c1-3-23-15-10-9-14(11-16(15)24-4-2)26(21,22)18-12-5-7-13(8-6-12)25(17,19)20/h5-11,18H,3-4H2,1-2H3,(H2,17,19,20)
InChIKeyFPEHSBYGLQJGIF-UHFFFAOYSA-N
MW400.48 g/mol
LogP1.93
Rot. Bonds8

About 3,4-diethoxy-N-(4-sulfamoylphenyl)benzenesulfonamide

3,4-diethoxy-N-(4-sulfamoylphenyl)benzenesulfonamide (PubChem CID 27658093) has the molecular formula C16H20N2O6S2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 3,4-diethoxy-N-(4-sulfamoylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-diethoxy-N-(4-sulfamoylphenyl)benzenesulfonamide
PubChem CID27658093
Molecular FormulaC16H20N2O6S2
Molecular Weight400.48 g/mol
Exact Mass400.08
IUPAC Name3,4-diethoxy-N-(4-sulfamoylphenyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1OCC
InChIInChI=1S/C16H20N2O6S2/c1-3-23-15-10-9-14(11-16(15)24-4-2)26(21,22)18-12-5-7-13(8-6-12)25(17,19)20/h5-11,18H,3-4H2,1-2H3,(H2,17,19,20)
InChIKeyFPEHSBYGLQJGIF-UHFFFAOYSA-N
XLogP1.93
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-diethoxy-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 9056028
N-[4-(diethylamino)phenyl]-3,4-diethoxybenzenesulfonamide
CID 9030499
3,4-diethoxy-N-(3-iodophenyl)benzenesulfonamide
CID 27658180
S-[4-[(3,4-diethoxyphenyl)sulfonylamino]phenyl] N,N-dimethylcarbamothioate
CID 56508235
3,4-diethoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 9030518
3,4-diethoxy-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide
CID 17481529
1,2-diethoxy-4-(sulfamoylamino)benzene
CID 112573189
3,5-dichloro-N-(3,4-diethoxyphenyl)benzenesulfonamide
CID 8851611
N-[5-[(3,4-diethoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide
CID 24656762
3-chloro-4-ethoxy-N-phenylbenzenesulfonamide
CID 110758153
N-[2-[(2S)-butan-2-yl]phenyl]-3,4-diethoxybenzenesulfonamide
CID 9055939
4-amino-N-(4-ethoxyphenyl)-3-methoxybenzenesulfonamide
CID 2330567

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-(4-sulfamoylphenyl)benzenesulfonamide?
The IUPAC name of 3,4-diethoxy-N-(4-sulfamoylphenyl)benzenesulfonamide (CID 27658093) is 3,4-diethoxy-N-(4-sulfamoylphenyl)benzenesulfonamide.
What is the SMILES notation for 3,4-diethoxy-N-(4-sulfamoylphenyl)benzenesulfonamide?
The canonical SMILES for 3,4-diethoxy-N-(4-sulfamoylphenyl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-(4-sulfamoylphenyl)benzenesulfonamide?
The InChIKey is FPEHSBYGLQJGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O6S2/c1-3-23-15-10-9-14(11-16(15)24-4-2)26(21,22)18-12-5-7-13(8-6-12)25(17,19)20/h5-11,18H,3-4H2,1-2H3,(H2,17,19,20).
What are the key properties of 3,4-diethoxy-N-(4-sulfamoylphenyl)benzenesulfonamide?
3,4-diethoxy-N-(4-sulfamoylphenyl)benzenesulfonamide has a molecular weight of 400.48 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-(4-sulfamoylphenyl)benzenesulfonamide is sourced from PubChem (CID 27658093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).