N-ethyl-2,5-dimethoxy-N-phenylbenzenesulfonamide

C16H19NO4S — CID 768929

IUPACN-ethyl-2,5-dimethoxy-N-phenylbenzenesulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C16H19NO4S/c1-4-17(13-8-6-5-7-9-13)22(18,19)16-12-14(20-2)10-11-15(16)21-3/h5-12H,4H2,1-3H3
InChIKeyDOABUMPAZVBVAV-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.92
Rot. Bonds6

About N-ethyl-2,5-dimethoxy-N-phenylbenzenesulfonamide

N-ethyl-2,5-dimethoxy-N-phenylbenzenesulfonamide (PubChem CID 768929) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-ethyl-2,5-dimethoxy-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2,5-dimethoxy-N-phenylbenzenesulfonamide
PubChem CID768929
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC NameN-ethyl-2,5-dimethoxy-N-phenylbenzenesulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C16H19NO4S/c1-4-17(13-8-6-5-7-9-13)22(18,19)16-12-14(20-2)10-11-15(16)21-3/h5-12H,4H2,1-3H3
InChIKeyDOABUMPAZVBVAV-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-(3-fluorophenyl)-2,5-dimethoxybenzenesulfonamide
CID 60534153
N-ethyl-2-methoxy-4,5-dimethyl-N-phenylbenzenesulfonamide
CID 66485774
2-bromo-N-ethyl-4,5-dimethoxy-N-phenylbenzenesulfonamide
CID 9055831
N-ethyl-3,4-dimethoxy-N-phenylbenzenesulfonamide
CID 769001
N-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 162650214
2-(N-(5-bromo-2-methoxyphenyl)sulfonylanilino)-N-(2,5-dimethoxyphenyl)acetamide
CID 1323779
2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-methyl-N-phenylacetamide
CID 100796962
2,5-dimethoxy-N-methyl-N-(3-phenoxypropyl)benzenesulfonamide
CID 55681499
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 4856047
N-(azetidin-3-yl)-N-ethyl-2,5-dimethoxybenzenesulfonamide
CID 66181481
2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-methyl-N-phenylacetamide
CID 100796017
2-[(2,5-dimethoxyphenyl)sulfonyl-propan-2-ylamino]acetic acid
CID 60829815

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,5-dimethoxy-N-phenylbenzenesulfonamide?
The IUPAC name of N-ethyl-2,5-dimethoxy-N-phenylbenzenesulfonamide (CID 768929) is N-ethyl-2,5-dimethoxy-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-ethyl-2,5-dimethoxy-N-phenylbenzenesulfonamide?
The canonical SMILES for N-ethyl-2,5-dimethoxy-N-phenylbenzenesulfonamide is CCN(c1ccccc1)S(=O)(=O)c1cc(OC)ccc1OC.
What is the InChIKey of N-ethyl-2,5-dimethoxy-N-phenylbenzenesulfonamide?
The InChIKey is DOABUMPAZVBVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S/c1-4-17(13-8-6-5-7-9-13)22(18,19)16-12-14(20-2)10-11-15(16)21-3/h5-12H,4H2,1-3H3.
What are the key properties of N-ethyl-2,5-dimethoxy-N-phenylbenzenesulfonamide?
N-ethyl-2,5-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-2,5-dimethoxy-N-phenylbenzenesulfonamide is sourced from PubChem (CID 768929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).