4-amino-3-bromo-N-(4-ethoxyphenyl)benzenesulfonamide

C14H15BrN2O3S — CID 62057274

IUPAC4-amino-3-bromo-N-(4-ethoxyphenyl)benzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(N)c(Br)c2)cc1
InChIInChI=1S/C14H15BrN2O3S/c1-2-20-11-5-3-10(4-6-11)17-21(18,19)12-7-8-14(16)13(15)9-12/h3-9,17H,2,16H2,1H3
InChIKeyTWBXLQHBBNFDSA-UHFFFAOYSA-N
MW371.26 g/mol
LogP3.23
Rot. Bonds5

About 4-amino-3-bromo-N-(4-ethoxyphenyl)benzenesulfonamide

4-amino-3-bromo-N-(4-ethoxyphenyl)benzenesulfonamide (PubChem CID 62057274) has the molecular formula C14H15BrN2O3S and a molecular weight of 371.26 g/mol. Its IUPAC name is 4-amino-3-bromo-N-(4-ethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-bromo-N-(4-ethoxyphenyl)benzenesulfonamide
PubChem CID62057274
Molecular FormulaC14H15BrN2O3S
Molecular Weight371.26 g/mol
Exact Mass370.00
IUPAC Name4-amino-3-bromo-N-(4-ethoxyphenyl)benzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(N)c(Br)c2)cc1
InChIInChI=1S/C14H15BrN2O3S/c1-2-20-11-5-3-10(4-6-11)17-21(18,19)12-7-8-14(16)13(15)9-12/h3-9,17H,2,16H2,1H3
InChIKeyTWBXLQHBBNFDSA-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

4-amino-N-(4-ethoxyphenyl)-3-methoxybenzenesulfonamide
CID 2330567
4-bromo-N-(4-ethoxyphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 98000732
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
3-chloro-N-(4-ethoxyphenyl)-4-fluorobenzenesulfonamide
CID 889995
N-(3-bromo-5-methylphenyl)-4-ethoxybenzenesulfonamide
CID 110604794
N-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-sulfonamide
CID 100820442
N-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide
CID 112987708
4-ethoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 8860403
N-(4-ethoxyphenyl)-4-prop-2-enoxybenzenesulfonamide
CID 141457924
ethyl N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamate
CID 17147479

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-bromo-N-(4-ethoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-amino-3-bromo-N-(4-ethoxyphenyl)benzenesulfonamide (CID 62057274) is 4-amino-3-bromo-N-(4-ethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-bromo-N-(4-ethoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-bromo-N-(4-ethoxyphenyl)benzenesulfonamide is CCOc1ccc(NS(=O)(=O)c2ccc(N)c(Br)c2)cc1.
What is the InChIKey of 4-amino-3-bromo-N-(4-ethoxyphenyl)benzenesulfonamide?
The InChIKey is TWBXLQHBBNFDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3S/c1-2-20-11-5-3-10(4-6-11)17-21(18,19)12-7-8-14(16)13(15)9-12/h3-9,17H,2,16H2,1H3.
What are the key properties of 4-amino-3-bromo-N-(4-ethoxyphenyl)benzenesulfonamide?
4-amino-3-bromo-N-(4-ethoxyphenyl)benzenesulfonamide 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 4-amino-3-bromo-N-(4-ethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 62057274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).