N-(3,4-dimethoxy-2-prop-2-enylphenyl)-N-prop-2-enylbenzenesulfonamide

C20H23NO4S — CID 102204458

IUPACN-(3,4-dimethoxy-2-prop-2-enylphenyl)-N-prop-2-enylbenzenesulfonamide
SMILESC=CCc1c(N(CC=C)S(=O)(=O)c2ccccc2)ccc(OC)c1OC
InChIInChI=1S/C20H23NO4S/c1-5-10-17-18(13-14-19(24-3)20(17)25-4)21(15-6-2)26(22,23)16-11-8-7-9-12-16/h5-9,11-14H,1-2,10,15H2,3-4H3
InChIKeyGALOMLBWAMXNLW-UHFFFAOYSA-N
MW373.47 g/mol
LogP3.81
Rot. Bonds9

About N-(3,4-dimethoxy-2-prop-2-enylphenyl)-N-prop-2-enylbenzenesulfonamide

N-(3,4-dimethoxy-2-prop-2-enylphenyl)-N-prop-2-enylbenzenesulfonamide (PubChem CID 102204458) has the molecular formula C20H23NO4S and a molecular weight of 373.47 g/mol. Its IUPAC name is N-(3,4-dimethoxy-2-prop-2-enylphenyl)-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethoxy-2-prop-2-enylphenyl)-N-prop-2-enylbenzenesulfonamide
PubChem CID102204458
Molecular FormulaC20H23NO4S
Molecular Weight373.47 g/mol
Exact Mass373.13
IUPAC NameN-(3,4-dimethoxy-2-prop-2-enylphenyl)-N-prop-2-enylbenzenesulfonamide
SMILESC=CCc1c(N(CC=C)S(=O)(=O)c2ccccc2)ccc(OC)c1OC
InChIInChI=1S/C20H23NO4S/c1-5-10-17-18(13-14-19(24-3)20(17)25-4)21(15-6-2)26(22,23)16-11-8-7-9-12-16/h5-9,11-14H,1-2,10,15H2,3-4H3
InChIKeyGALOMLBWAMXNLW-UHFFFAOYSA-N
XLogP3.81
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(2-chlorophenyl)-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 100510758
N-[2-(3,4-dimethoxy-2-prop-2-enylphenyl)ethyl]benzenesulfonamide
CID 71497480
N-(2-chlorophenyl)-3-fluoro-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 100542077
N-(3,4-dimethoxyphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
CID 100532098
N-(4-chlorophenyl)sulfonyl-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 2566541
1,3-dimethoxy-2-prop-2-enylbenzene
CID 3014232
N-(2-methoxyphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 2082409
N-(2-methoxy-5-nitrophenyl)-4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide
CID 100518825
2,5-dichloro-N-(2-methoxyphenyl)-N-prop-2-enylbenzenesulfonamide
CID 100507319
4-ethylsulfonyl-N-phenyl-N-prop-2-enylbenzenesulfonamide
CID 52706398
3-fluoro-4-methoxy-N-(2-methoxy-5-nitrophenyl)-N-prop-2-enylbenzenesulfonamide
CID 100545305
3-chloro-4-methoxy-N-(2-methoxy-5-nitrophenyl)-N-prop-2-enylbenzenesulfonamide
CID 100513696

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxy-2-prop-2-enylphenyl)-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of N-(3,4-dimethoxy-2-prop-2-enylphenyl)-N-prop-2-enylbenzenesulfonamide (CID 102204458) is N-(3,4-dimethoxy-2-prop-2-enylphenyl)-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethoxy-2-prop-2-enylphenyl)-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for N-(3,4-dimethoxy-2-prop-2-enylphenyl)-N-prop-2-enylbenzenesulfonamide is C=CCc1c(N(CC=C)S(=O)(=O)c2ccccc2)ccc(OC)c1OC.
What is the InChIKey of N-(3,4-dimethoxy-2-prop-2-enylphenyl)-N-prop-2-enylbenzenesulfonamide?
The InChIKey is GALOMLBWAMXNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4S/c1-5-10-17-18(13-14-19(24-3)20(17)25-4)21(15-6-2)26(22,23)16-11-8-7-9-12-16/h5-9,11-14H,1-2,10,15H2,3-4H3.
What are the key properties of N-(3,4-dimethoxy-2-prop-2-enylphenyl)-N-prop-2-enylbenzenesulfonamide?
N-(3,4-dimethoxy-2-prop-2-enylphenyl)-N-prop-2-enylbenzenesulfonamide has a molecular weight of 373.47 g/mol, XLogP of 3.81, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxy-2-prop-2-enylphenyl)-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 102204458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).