5-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide

C10H12BrNO3S — CID 27245863

IUPAC5-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C10H12BrNO3S/c1-3-6-12-16(13,14)10-7-8(11)4-5-9(10)15-2/h3-5,7,12H,1,6H2,2H3
InChIKeyAPJUAORMHPQMJD-UHFFFAOYSA-N
MW306.18 g/mol
LogP1.92
Rot. Bonds5

About 5-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide

5-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide (PubChem CID 27245863) has the molecular formula C10H12BrNO3S and a molecular weight of 306.18 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide
PubChem CID27245863
Molecular FormulaC10H12BrNO3S
Molecular Weight306.18 g/mol
Exact Mass304.97
IUPAC Name5-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C10H12BrNO3S/c1-3-6-12-16(13,14)10-7-8(11)4-5-9(10)15-2/h3-5,7,12H,1,6H2,2H3
InChIKeyAPJUAORMHPQMJD-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

5-acetyl-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 39368097
3-bromo-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 2263565
N-(2-amino-2-methylpropyl)-5-bromo-2-methoxybenzenesulfonamide
CID 113282767
5-amino-4-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 81414818
5-bromo-N-(2-cyano-2-methylpropyl)-2-methoxybenzenesulfonamide
CID 113372044
5-bromo-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide
CID 25047268
5-bromo-2-methoxy-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 113237489
5-bromo-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824611
5-bromo-2-methoxy-N-(3-methoxy-2-methylpropyl)benzenesulfonamide
CID 47429872
5-bromo-2-methoxy-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63960993
5-methoxy-2,4-dimethyl-N-prop-2-enylbenzenesulfonamide
CID 27261539
5-bromo-N-(3,3-difluoro-2-hydroxypropyl)-2-methoxybenzenesulfonamide
CID 103836787

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 5-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide (CID 27245863) is 5-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 5-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide is C=CCNS(=O)(=O)c1cc(Br)ccc1OC.
What is the InChIKey of 5-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide?
The InChIKey is APJUAORMHPQMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3S/c1-3-6-12-16(13,14)10-7-8(11)4-5-9(10)15-2/h3-5,7,12H,1,6H2,2H3.
What are the key properties of 5-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide?
5-bromo-2-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 5-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 27245863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).