5-amino-N-(3-bromophenyl)-2-ethoxybenzenesulfonamide

C14H15BrN2O3S — CID 43662937

IUPAC5-amino-N-(3-bromophenyl)-2-ethoxybenzenesulfonamide
SMILESCCOc1ccc(N)cc1S(=O)(=O)Nc1cccc(Br)c1
InChIInChI=1S/C14H15BrN2O3S/c1-2-20-13-7-6-11(16)9-14(13)21(18,19)17-12-5-3-4-10(15)8-12/h3-9,17H,2,16H2,1H3
InChIKeyRYLGCDWXMPIYQV-UHFFFAOYSA-N
MW371.26 g/mol
LogP3.23
Rot. Bonds5

About 5-amino-N-(3-bromophenyl)-2-ethoxybenzenesulfonamide

5-amino-N-(3-bromophenyl)-2-ethoxybenzenesulfonamide (PubChem CID 43662937) has the molecular formula C14H15BrN2O3S and a molecular weight of 371.26 g/mol. Its IUPAC name is 5-amino-N-(3-bromophenyl)-2-ethoxybenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(3-bromophenyl)-2-ethoxybenzenesulfonamide
PubChem CID43662937
Molecular FormulaC14H15BrN2O3S
Molecular Weight371.26 g/mol
Exact Mass370.00
IUPAC Name5-amino-N-(3-bromophenyl)-2-ethoxybenzenesulfonamide
SMILESCCOc1ccc(N)cc1S(=O)(=O)Nc1cccc(Br)c1
InChIInChI=1S/C14H15BrN2O3S/c1-2-20-13-7-6-11(16)9-14(13)21(18,19)17-12-5-3-4-10(15)8-12/h3-9,17H,2,16H2,1H3
InChIKeyRYLGCDWXMPIYQV-UHFFFAOYSA-N
XLogP3.23
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetylphenyl)-5-bromo-2-ethoxybenzenesulfonamide
CID 2126237
4-amino-N-(3-bromophenyl)-2-methoxybenzenesulfonamide
CID 43257571
5-amino-2-ethoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107585840
5-amino-N-(3-ethoxyphenyl)-2-methylbenzenesulfonamide
CID 61125171
5-amino-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide
CID 29267050
5-bromo-2-ethoxy-N-(4-ethylphenyl)benzenesulfonamide
CID 2236441
5-(aminomethyl)-N-(3-bromophenyl)-2-methoxybenzenesulfonamide
CID 106061488
5-amino-4-bromo-N-(3-bromophenyl)-2-methoxybenzenesulfonamide
CID 81397536
5-amino-N-(2,2-difluoroethyl)-2-ethoxybenzenesulfonamide
CID 113303848
5-bromo-2-ethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 7938973
5-bromo-2-ethoxy-N-naphthalen-1-ylbenzenesulfonamide
CID 2394336
5-amino-N-(3-iodophenyl)-2-methoxybenzenesulfonamide
CID 43124455

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-bromophenyl)-2-ethoxybenzenesulfonamide?
The IUPAC name of 5-amino-N-(3-bromophenyl)-2-ethoxybenzenesulfonamide (CID 43662937) is 5-amino-N-(3-bromophenyl)-2-ethoxybenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(3-bromophenyl)-2-ethoxybenzenesulfonamide?
The canonical SMILES for 5-amino-N-(3-bromophenyl)-2-ethoxybenzenesulfonamide is CCOc1ccc(N)cc1S(=O)(=O)Nc1cccc(Br)c1.
What is the InChIKey of 5-amino-N-(3-bromophenyl)-2-ethoxybenzenesulfonamide?
The InChIKey is RYLGCDWXMPIYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3S/c1-2-20-13-7-6-11(16)9-14(13)21(18,19)17-12-5-3-4-10(15)8-12/h3-9,17H,2,16H2,1H3.
What are the key properties of 5-amino-N-(3-bromophenyl)-2-ethoxybenzenesulfonamide?
5-amino-N-(3-bromophenyl)-2-ethoxybenzenesulfonamide has a molecular weight of 371.26 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-bromophenyl)-2-ethoxybenzenesulfonamide is sourced from PubChem (CID 43662937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).