3-bromo-4-nonoxybenzenesulfonamide

C15H24BrNO3S — CID 43342292

IUPAC3-bromo-4-nonoxybenzenesulfonamide
SMILESCCCCCCCCCOc1ccc(S(N)(=O)=O)cc1Br
InChIInChI=1S/C15H24BrNO3S/c1-2-3-4-5-6-7-8-11-20-15-10-9-13(12-14(15)16)21(17,18)19/h9-10,12H,2-8,11H2,1H3,(H2,17,18,19)
InChIKeyDEQRSAUSCAWWPY-UHFFFAOYSA-N
MW378.33 g/mol
LogP4.23
Rot. Bonds10

About 3-bromo-4-nonoxybenzenesulfonamide

3-bromo-4-nonoxybenzenesulfonamide (PubChem CID 43342292) has the molecular formula C15H24BrNO3S and a molecular weight of 378.33 g/mol. Its IUPAC name is 3-bromo-4-nonoxybenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-nonoxybenzenesulfonamide
PubChem CID43342292
Molecular FormulaC15H24BrNO3S
Molecular Weight378.33 g/mol
Exact Mass377.07
IUPAC Name3-bromo-4-nonoxybenzenesulfonamide
SMILESCCCCCCCCCOc1ccc(S(N)(=O)=O)cc1Br
InChIInChI=1S/C15H24BrNO3S/c1-2-3-4-5-6-7-8-11-20-15-10-9-13(12-14(15)16)21(17,18)19/h9-10,12H,2-8,11H2,1H3,(H2,17,18,19)
InChIKeyDEQRSAUSCAWWPY-UHFFFAOYSA-N
XLogP4.23
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.33
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-bromo-4-nonoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-4-octoxybenzenesulfonamide
CID 43342399
2-hexoxy-5-sulfamoylbenzoic acid
CID 43322679
4-amino-3-hexoxybenzenesulfonamide
CID 82898886
3-bromo-4-hept-6-enoxybenzenesulfonamide
CID 107007678
4-butoxy-3-methylbenzenesulfonamide
CID 43164510
2,4-dibromo-1-heptoxybenzene
CID 101293515
2,4-dibromo-1-octoxybenzene
CID 101293529
3-bromo-4-(3-phenylpropoxy)benzenesulfonamide
CID 43342283
2-bromo-4-ethylsulfonyl-1-propoxybenzene
CID 118022008
3-(2-bromo-4-sulfamoylphenoxy)propanoic acid
CID 43164341
3-bromo-4-(3-pyrrolidin-1-ylpropoxy)benzenesulfonamide
CID 82921916
3-octadecoxybenzenesulfonamide
CID 142668832

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-nonoxybenzenesulfonamide?
The IUPAC name of 3-bromo-4-nonoxybenzenesulfonamide (CID 43342292) is 3-bromo-4-nonoxybenzenesulfonamide.
What is the SMILES notation for 3-bromo-4-nonoxybenzenesulfonamide?
The canonical SMILES for 3-bromo-4-nonoxybenzenesulfonamide is CCCCCCCCCOc1ccc(S(N)(=O)=O)cc1Br.
What is the InChIKey of 3-bromo-4-nonoxybenzenesulfonamide?
The InChIKey is DEQRSAUSCAWWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO3S/c1-2-3-4-5-6-7-8-11-20-15-10-9-13(12-14(15)16)21(17,18)19/h9-10,12H,2-8,11H2,1H3,(H2,17,18,19).
What are the key properties of 3-bromo-4-nonoxybenzenesulfonamide?
3-bromo-4-nonoxybenzenesulfonamide has a molecular weight of 378.33 g/mol, XLogP of 4.23, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-nonoxybenzenesulfonamide is sourced from PubChem (CID 43342292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).