3-bromo-4-methoxy-N-prop-2-enylbenzenesulfonamide

C10H12BrNO3S — CID 2263565

IUPAC3-bromo-4-methoxy-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C10H12BrNO3S/c1-3-6-12-16(13,14)8-4-5-10(15-2)9(11)7-8/h3-5,7,12H,1,6H2,2H3
InChIKeyIRAPNZXHRZLHDU-UHFFFAOYSA-N
MW306.18 g/mol
LogP1.92
Rot. Bonds5

About 3-bromo-4-methoxy-N-prop-2-enylbenzenesulfonamide

3-bromo-4-methoxy-N-prop-2-enylbenzenesulfonamide (PubChem CID 2263565) has the molecular formula C10H12BrNO3S and a molecular weight of 306.18 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-prop-2-enylbenzenesulfonamide
PubChem CID2263565
Molecular FormulaC10H12BrNO3S
Molecular Weight306.18 g/mol
Exact Mass304.97
IUPAC Name3-bromo-4-methoxy-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C10H12BrNO3S/c1-3-6-12-16(13,14)8-4-5-10(15-2)9(11)7-8/h3-5,7,12H,1,6H2,2H3
InChIKeyIRAPNZXHRZLHDU-UHFFFAOYSA-N
XLogP1.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.18
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-3-ethoxy-N-prop-2-enylbenzenesulfonamide
CID 25252499
5-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 27245863
3-bromo-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 2880554
N-(2-aminopropyl)-3-bromo-4-methoxybenzenesulfonamide
CID 63733775
3-bromo-4-methoxy-N-[(1-methylcyclopropyl)methyl]benzenesulfonamide
CID 103723853
3-bromo-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
CID 4843656
5-amino-4-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 81414818
N-[2-[(3-bromo-4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 31391788
3-bromo-N-[(2,5-dimethoxyphenyl)methyl]-4-methoxybenzenesulfonamide
CID 31827596
3-bromo-N-(6-hydroxyhexyl)-4-methoxybenzenesulfonamide
CID 103918422
3-bromo-4-methoxy-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 78966879
3-bromo-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
CID 1120509

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 3-bromo-4-methoxy-N-prop-2-enylbenzenesulfonamide (CID 2263565) is 3-bromo-4-methoxy-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 3-bromo-4-methoxy-N-prop-2-enylbenzenesulfonamide is C=CCNS(=O)(=O)c1ccc(OC)c(Br)c1.
What is the InChIKey of 3-bromo-4-methoxy-N-prop-2-enylbenzenesulfonamide?
The InChIKey is IRAPNZXHRZLHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3S/c1-3-6-12-16(13,14)8-4-5-10(15-2)9(11)7-8/h3-5,7,12H,1,6H2,2H3.
What are the key properties of 3-bromo-4-methoxy-N-prop-2-enylbenzenesulfonamide?
3-bromo-4-methoxy-N-prop-2-enylbenzenesulfonamide has a molecular weight of 306.18 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 2263565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).