N-ethyl-3,4-dimethoxy-N-phenylbenzenesulfonamide

C16H19NO4S — CID 769001

IUPACN-ethyl-3,4-dimethoxy-N-phenylbenzenesulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H19NO4S/c1-4-17(13-8-6-5-7-9-13)22(18,19)14-10-11-15(20-2)16(12-14)21-3/h5-12H,4H2,1-3H3
InChIKeyHNODGNXBMCQFJK-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.92
Rot. Bonds6

About N-ethyl-3,4-dimethoxy-N-phenylbenzenesulfonamide

N-ethyl-3,4-dimethoxy-N-phenylbenzenesulfonamide (PubChem CID 769001) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-ethyl-3,4-dimethoxy-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-3,4-dimethoxy-N-phenylbenzenesulfonamide
PubChem CID769001
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC NameN-ethyl-3,4-dimethoxy-N-phenylbenzenesulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H19NO4S/c1-4-17(13-8-6-5-7-9-13)22(18,19)14-10-11-15(20-2)16(12-14)21-3/h5-12H,4H2,1-3H3
InChIKeyHNODGNXBMCQFJK-UHFFFAOYSA-N
XLogP2.92
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-(4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide
CID 17442526
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2587682
N-[(2S)-butan-2-yl]-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 27235758
2-bromo-N-ethyl-4,5-dimethoxy-N-phenylbenzenesulfonamide
CID 9055831
N-ethyl-2,5-dimethoxy-N-phenylbenzenesulfonamide
CID 768929
3-amino-N-ethyl-4-phenoxy-N-phenylbenzenesulfonamide
CID 1643
N-(2,6-diethylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 1006564
N-ethyl-2-methoxy-4,5-dimethyl-N-phenylbenzenesulfonamide
CID 66485774
3,4-dichloro-N-ethyl-N-phenylbenzenesulfonamide
CID 2234505
cis-(1S,2R)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-methylcyclopropane-1-carboxamide
CID 129421663
4-N-ethyl-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-disulfonamide
CID 26951667
N-ethyl-6-methoxy-N-phenylpyridine-3-sulfonamide
CID 5268434

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,4-dimethoxy-N-phenylbenzenesulfonamide?
The IUPAC name of N-ethyl-3,4-dimethoxy-N-phenylbenzenesulfonamide (CID 769001) is N-ethyl-3,4-dimethoxy-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-ethyl-3,4-dimethoxy-N-phenylbenzenesulfonamide?
The canonical SMILES for N-ethyl-3,4-dimethoxy-N-phenylbenzenesulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-ethyl-3,4-dimethoxy-N-phenylbenzenesulfonamide?
The InChIKey is HNODGNXBMCQFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S/c1-4-17(13-8-6-5-7-9-13)22(18,19)14-10-11-15(20-2)16(12-14)21-3/h5-12H,4H2,1-3H3.
What are the key properties of N-ethyl-3,4-dimethoxy-N-phenylbenzenesulfonamide?
N-ethyl-3,4-dimethoxy-N-phenylbenzenesulfonamide has a molecular weight of 321.40 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,4-dimethoxy-N-phenylbenzenesulfonamide is sourced from PubChem (CID 769001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).