5-bromo-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide

C15H16BrNO3S — CID 26979755

IUPAC5-bromo-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide
SMILESCCc1cccc(NS(=O)(=O)c2cc(Br)ccc2OC)c1
InChIInChI=1S/C15H16BrNO3S/c1-3-11-5-4-6-13(9-11)17-21(18,19)15-10-12(16)7-8-14(15)20-2/h4-10,17H,3H2,1-2H3
InChIKeyOZEBRGVFSLXRIT-UHFFFAOYSA-N
MW370.27 g/mol
LogP3.82
Rot. Bonds5

About 5-bromo-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide

5-bromo-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide (PubChem CID 26979755) has the molecular formula C15H16BrNO3S and a molecular weight of 370.27 g/mol. Its IUPAC name is 5-bromo-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide
PubChem CID26979755
Molecular FormulaC15H16BrNO3S
Molecular Weight370.27 g/mol
Exact Mass369.00
IUPAC Name5-bromo-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide
SMILESCCc1cccc(NS(=O)(=O)c2cc(Br)ccc2OC)c1
InChIInChI=1S/C15H16BrNO3S/c1-3-11-5-4-6-13(9-11)17-21(18,19)15-10-12(16)7-8-14(15)20-2/h4-10,17H,3H2,1-2H3
InChIKeyOZEBRGVFSLXRIT-UHFFFAOYSA-N
XLogP3.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.27
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide
CID 29267050
N-[3-[(3-ethylphenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 17404307
5-(aminomethyl)-N-(3-bromophenyl)-2-methoxybenzenesulfonamide
CID 106061488
N-[3-[(5-ethyl-2-methoxyphenyl)sulfonylamino]phenyl]acetamide
CID 110757886
methyl 4-[(5-bromo-2-methoxyphenyl)sulfonylamino]-2-methoxybenzoate
CID 25045124
5-bromo-N-(3,5-difluorophenyl)-2-methoxybenzenesulfonamide
CID 35940097
5-bromo-2-ethoxy-N-(4-ethylphenyl)benzenesulfonamide
CID 2236441
2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 967885
5-chloro-2-methoxy-N-[3-(methoxymethyl)phenyl]benzenesulfonamide
CID 100562486
5-bromo-2-methoxy-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 78955910
5-bromo-N-(3-ethylphenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 61298536
2-methoxy-N-[3-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606229

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-bromo-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide (CID 26979755) is 5-bromo-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-bromo-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide is CCc1cccc(NS(=O)(=O)c2cc(Br)ccc2OC)c1.
What is the InChIKey of 5-bromo-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide?
The InChIKey is OZEBRGVFSLXRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3S/c1-3-11-5-4-6-13(9-11)17-21(18,19)15-10-12(16)7-8-14(15)20-2/h4-10,17H,3H2,1-2H3.
What are the key properties of 5-bromo-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide?
5-bromo-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide has a molecular weight of 370.27 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 26979755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).