2-[(3,4-diethoxyphenyl)sulfonylamino]benzamide

C17H20N2O5S — CID 9055880

IUPAC2-[(3,4-diethoxyphenyl)sulfonylamino]benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccccc2C(N)=O)cc1OCC
InChIInChI=1S/C17H20N2O5S/c1-3-23-15-10-9-12(11-16(15)24-4-2)25(21,22)19-14-8-6-5-7-13(14)17(18)20/h5-11,19H,3-4H2,1-2H3,(H2,18,20)
InChIKeyLZWQMQMGBIWWON-UHFFFAOYSA-N
MW364.42 g/mol
LogP2.38
Rot. Bonds8

About 2-[(3,4-diethoxyphenyl)sulfonylamino]benzamide

2-[(3,4-diethoxyphenyl)sulfonylamino]benzamide (PubChem CID 9055880) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is 2-[(3,4-diethoxyphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name2-[(3,4-diethoxyphenyl)sulfonylamino]benzamide
PubChem CID9055880
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Name2-[(3,4-diethoxyphenyl)sulfonylamino]benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccccc2C(N)=O)cc1OCC
InChIInChI=1S/C17H20N2O5S/c1-3-23-15-10-9-12(11-16(15)24-4-2)25(21,22)19-14-8-6-5-7-13(14)17(18)20/h5-11,19H,3-4H2,1-2H3,(H2,18,20)
InChIKeyLZWQMQMGBIWWON-UHFFFAOYSA-N
XLogP2.38
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-ethoxynaphthalen-2-yl)sulfonylamino]benzamide
CID 91824630
N-[2-[(2R)-butan-2-yl]phenyl]-3,4-diethoxybenzenesulfonamide
CID 9055938
N-[2-[(2S)-butan-2-yl]phenyl]-3,4-diethoxybenzenesulfonamide
CID 9055939
2-[(6-propoxynaphthalen-2-yl)sulfonylamino]benzamide
CID 91824604
N-(2,3-dimethylphenyl)-3,4-diethoxybenzenesulfonamide
CID 9055836
3,4-diethoxy-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide
CID 17481529
2-[(8-ethoxyquinolin-5-yl)sulfonylamino]benzamide
CID 25035028
methyl 4-[(2-carbamoylphenyl)sulfamoyl]benzoate
CID 17485240
4-ethoxy-3-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 4214214
2-[(4-butylphenyl)sulfonylamino]benzamide
CID 3869387
2-[3-(3,4-diethoxyphenyl)propanoylamino]benzamide
CID 30395458
[(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 7371020

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-diethoxyphenyl)sulfonylamino]benzamide?
The IUPAC name of 2-[(3,4-diethoxyphenyl)sulfonylamino]benzamide (CID 9055880) is 2-[(3,4-diethoxyphenyl)sulfonylamino]benzamide.
What is the SMILES notation for 2-[(3,4-diethoxyphenyl)sulfonylamino]benzamide?
The canonical SMILES for 2-[(3,4-diethoxyphenyl)sulfonylamino]benzamide is CCOc1ccc(S(=O)(=O)Nc2ccccc2C(N)=O)cc1OCC.
What is the InChIKey of 2-[(3,4-diethoxyphenyl)sulfonylamino]benzamide?
The InChIKey is LZWQMQMGBIWWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-3-23-15-10-9-12(11-16(15)24-4-2)25(21,22)19-14-8-6-5-7-13(14)17(18)20/h5-11,19H,3-4H2,1-2H3,(H2,18,20).
What are the key properties of 2-[(3,4-diethoxyphenyl)sulfonylamino]benzamide?
2-[(3,4-diethoxyphenyl)sulfonylamino]benzamide has a molecular weight of 364.42 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-diethoxyphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 9055880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).