3,4-diethoxy-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide

C22H24N2O6S2 — CID 17481529

IUPAC3,4-diethoxy-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccccc2S(=O)(=O)Nc2ccccc2)cc1OCC
InChIInChI=1S/C22H24N2O6S2/c1-3-29-20-15-14-18(16-21(20)30-4-2)31(25,26)24-19-12-8-9-13-22(19)32(27,28)23-17-10-6-5-7-11-17/h5-16,23-24H,3-4H2,1-2H3
InChIKeyLMGZWLPFSFOAJZ-UHFFFAOYSA-N
MW476.58 g/mol
LogP4.09
Rot. Bonds10

About 3,4-diethoxy-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide

3,4-diethoxy-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide (PubChem CID 17481529) has the molecular formula C22H24N2O6S2 and a molecular weight of 476.58 g/mol. Its IUPAC name is 3,4-diethoxy-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide
PubChem CID17481529
Molecular FormulaC22H24N2O6S2
Molecular Weight476.58 g/mol
Exact Mass476.11
IUPAC Name3,4-diethoxy-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccccc2S(=O)(=O)Nc2ccccc2)cc1OCC
InChIInChI=1S/C22H24N2O6S2/c1-3-29-20-15-14-18(16-21(20)30-4-2)31(25,26)24-19-12-8-9-13-22(19)32(27,28)23-17-10-6-5-7-11-17/h5-16,23-24H,3-4H2,1-2H3
InChIKeyLMGZWLPFSFOAJZ-UHFFFAOYSA-N
XLogP4.09
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(2R)-butan-2-yl]phenyl]-3,4-diethoxybenzenesulfonamide
CID 9055938
N-[2-[(2S)-butan-2-yl]phenyl]-3,4-diethoxybenzenesulfonamide
CID 9055939
4-methoxy-3-methyl-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide
CID 75493365
3,4-diethoxy-N-(3-iodophenyl)benzenesulfonamide
CID 27658180
3-chloro-4-ethoxy-N-phenylbenzenesulfonamide
CID 110758153
3,4-diethoxy-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 9056028
3,4-diethoxy-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 27658093
N-(2,3-dimethylphenyl)-3,4-diethoxybenzenesulfonamide
CID 9055836
2-[(3,4-diethoxyphenyl)sulfonylamino]benzamide
CID 9055880
N-[4-(diethylamino)phenyl]-3,4-diethoxybenzenesulfonamide
CID 9030499
4-ethoxy-3-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 4214214
3,4-diethoxy-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 60597563

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide?
The IUPAC name of 3,4-diethoxy-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide (CID 17481529) is 3,4-diethoxy-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3,4-diethoxy-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3,4-diethoxy-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccccc2S(=O)(=O)Nc2ccccc2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide?
The InChIKey is LMGZWLPFSFOAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O6S2/c1-3-29-20-15-14-18(16-21(20)30-4-2)31(25,26)24-19-12-8-9-13-22(19)32(27,28)23-17-10-6-5-7-11-17/h5-16,23-24H,3-4H2,1-2H3.
What are the key properties of 3,4-diethoxy-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide?
3,4-diethoxy-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide has a molecular weight of 476.58 g/mol, XLogP of 4.09, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 17481529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).