2-bromo-4,5-dimethoxy-N-prop-2-enylbenzenesulfonamide

C11H14BrNO4S — CID 60664998

IUPAC2-bromo-4,5-dimethoxy-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1cc(OC)c(OC)cc1Br
InChIInChI=1S/C11H14BrNO4S/c1-4-5-13-18(14,15)11-7-10(17-3)9(16-2)6-8(11)12/h4,6-7,13H,1,5H2,2-3H3
InChIKeyXVAAWDGBAAFXDG-UHFFFAOYSA-N
MW336.21 g/mol
LogP1.93
Rot. Bonds6

About 2-bromo-4,5-dimethoxy-N-prop-2-enylbenzenesulfonamide

2-bromo-4,5-dimethoxy-N-prop-2-enylbenzenesulfonamide (PubChem CID 60664998) has the molecular formula C11H14BrNO4S and a molecular weight of 336.21 g/mol. Its IUPAC name is 2-bromo-4,5-dimethoxy-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4,5-dimethoxy-N-prop-2-enylbenzenesulfonamide
PubChem CID60664998
Molecular FormulaC11H14BrNO4S
Molecular Weight336.21 g/mol
Exact Mass334.98
IUPAC Name2-bromo-4,5-dimethoxy-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1cc(OC)c(OC)cc1Br
InChIInChI=1S/C11H14BrNO4S/c1-4-5-13-18(14,15)11-7-10(17-3)9(16-2)6-8(11)12/h4,6-7,13H,1,5H2,2-3H3
InChIKeyXVAAWDGBAAFXDG-UHFFFAOYSA-N
XLogP1.93
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-3,4-dimethoxybenzenesulfonamide
CID 3243273
N-allyl-3,4-dimethoxybenzenesulfonamide
CID 3114015
N-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2-methoxypropanamide
CID 71888734
N-Isopropyl-3,4-dimethoxy-benzenesulfonamide
CID 768979
N-benzyl-2-bromo-4,5-dimethoxybenzenesulfonamide
CID 1184065
2-bromo-4,5-dimethoxy-N-methylbenzene-1-sulfonamide
CID 9186307
2-Bromo-4,5-dimethoxy-1-[(4-methylpiperazinyl)sulfonyl]benzene
CID 1184066
3,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide
CID 4115865
N-(sec-butyl)-3,4-dimethoxybenzenesulfonamide
CID 5073030
(e)-N-(3,7-dimethylocta-2,6-dien-1-yl)-3,4-dimethoxybenzenesulfonamide
CID 44755784
2-Bromo-4,5-dimethoxybenzene-1-sulfonyl chloride
CID 4962475
4-(2-Bromo-4,5-dimethoxyphenyl)sulfonylmorpholine
CID 990999

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,5-dimethoxy-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 2-bromo-4,5-dimethoxy-N-prop-2-enylbenzenesulfonamide (CID 60664998) is 2-bromo-4,5-dimethoxy-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-4,5-dimethoxy-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 2-bromo-4,5-dimethoxy-N-prop-2-enylbenzenesulfonamide is C=CCNS(=O)(=O)c1cc(OC)c(OC)cc1Br.
What is the InChIKey of 2-bromo-4,5-dimethoxy-N-prop-2-enylbenzenesulfonamide?
The InChIKey is XVAAWDGBAAFXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO4S/c1-4-5-13-18(14,15)11-7-10(17-3)9(16-2)6-8(11)12/h4,6-7,13H,1,5H2,2-3H3.
What are the key properties of 2-bromo-4,5-dimethoxy-N-prop-2-enylbenzenesulfonamide?
2-bromo-4,5-dimethoxy-N-prop-2-enylbenzenesulfonamide has a molecular weight of 336.21 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,5-dimethoxy-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 60664998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).