5-bromo-2-methoxy-N-(2-prop-2-enylsulfanylphenyl)benzenesulfonamide

C16H16BrNO3S2 — CID 8823907

IUPAC5-bromo-2-methoxy-N-(2-prop-2-enylsulfanylphenyl)benzenesulfonamide
SMILESC=CCSc1ccccc1NS(=O)(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C16H16BrNO3S2/c1-3-10-22-15-7-5-4-6-13(15)18-23(19,20)16-11-12(17)8-9-14(16)21-2/h3-9,11,18H,1,10H2,2H3
InChIKeyRSRMXCSDLMQOQK-UHFFFAOYSA-N
MW414.35 g/mol
LogP4.54
Rot. Bonds7

About 5-bromo-2-methoxy-N-(2-prop-2-enylsulfanylphenyl)benzenesulfonamide

5-bromo-2-methoxy-N-(2-prop-2-enylsulfanylphenyl)benzenesulfonamide (PubChem CID 8823907) has the molecular formula C16H16BrNO3S2 and a molecular weight of 414.35 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-(2-prop-2-enylsulfanylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-(2-prop-2-enylsulfanylphenyl)benzenesulfonamide
PubChem CID8823907
Molecular FormulaC16H16BrNO3S2
Molecular Weight414.35 g/mol
Exact Mass412.98
IUPAC Name5-bromo-2-methoxy-N-(2-prop-2-enylsulfanylphenyl)benzenesulfonamide
SMILESC=CCSc1ccccc1NS(=O)(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C16H16BrNO3S2/c1-3-10-22-15-7-5-4-6-13(15)18-23(19,20)16-11-12(17)8-9-14(16)21-2/h3-9,11,18H,1,10H2,2H3
InChIKeyRSRMXCSDLMQOQK-UHFFFAOYSA-N
XLogP4.54
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.35
LogP ≤ 54.54
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

3,4-dimethyl-N-(2-prop-2-enylsulfanylphenyl)benzenesulfonamide
CID 8823884
N-(2-aminophenyl)-5-bromo-2-methoxybenzenesulfonamide
CID 43605604
5-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 27245863
5-bromo-N-[2-(difluoromethoxy)phenyl]-2-methoxybenzenesulfonamide
CID 8504794
2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-methylbenzamide
CID 26268702
2-amino-5-bromo-N-(2-ethylsulfanylphenyl)benzenesulfonamide
CID 61127258
N-(2-benzoylphenyl)-5-bromo-2-methoxybenzenesulfonamide
CID 100743808
2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 133228042
3-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 45439126
2-methoxy-5-methyl-N-(2-phenylsulfanylphenyl)benzenesulfonamide
CID 1241942
N-[2-(azepane-1-carbonyl)phenyl]-5-bromo-2-methoxybenzenesulfonamide
CID 100750695
5-bromo-N-[1-(3,4-dimethoxyphenyl)propyl]-2-methoxybenzenesulfonamide
CID 133199778

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-(2-prop-2-enylsulfanylphenyl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-methoxy-N-(2-prop-2-enylsulfanylphenyl)benzenesulfonamide (CID 8823907) is 5-bromo-2-methoxy-N-(2-prop-2-enylsulfanylphenyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-(2-prop-2-enylsulfanylphenyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methoxy-N-(2-prop-2-enylsulfanylphenyl)benzenesulfonamide is C=CCSc1ccccc1NS(=O)(=O)c1cc(Br)ccc1OC.
What is the InChIKey of 5-bromo-2-methoxy-N-(2-prop-2-enylsulfanylphenyl)benzenesulfonamide?
The InChIKey is RSRMXCSDLMQOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3S2/c1-3-10-22-15-7-5-4-6-13(15)18-23(19,20)16-11-12(17)8-9-14(16)21-2/h3-9,11,18H,1,10H2,2H3.
What are the key properties of 5-bromo-2-methoxy-N-(2-prop-2-enylsulfanylphenyl)benzenesulfonamide?
5-bromo-2-methoxy-N-(2-prop-2-enylsulfanylphenyl)benzenesulfonamide has a molecular weight of 414.35 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-(2-prop-2-enylsulfanylphenyl)benzenesulfonamide is sourced from PubChem (CID 8823907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).