N-benzyl-4-bromo-2-ethoxybenzenesulfonamide

C15H16BrNO3S — CID 1263164

IUPACN-benzyl-4-bromo-2-ethoxybenzenesulfonamide
SMILESCCOc1cc(Br)ccc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C15H16BrNO3S/c1-2-20-14-10-13(16)8-9-15(14)21(18,19)17-11-12-6-4-3-5-7-12/h3-10,17H,2,11H2,1H3
InChIKeyCILITIDTDBJVRQ-UHFFFAOYSA-N
MW370.27 g/mol
LogP3.33
Rot. Bonds6

About N-benzyl-4-bromo-2-ethoxybenzenesulfonamide

N-benzyl-4-bromo-2-ethoxybenzenesulfonamide (PubChem CID 1263164) has the molecular formula C15H16BrNO3S and a molecular weight of 370.27 g/mol. Its IUPAC name is N-benzyl-4-bromo-2-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-bromo-2-ethoxybenzenesulfonamide
PubChem CID1263164
Molecular FormulaC15H16BrNO3S
Molecular Weight370.27 g/mol
Exact Mass369.00
IUPAC NameN-benzyl-4-bromo-2-ethoxybenzenesulfonamide
SMILESCCOc1cc(Br)ccc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C15H16BrNO3S/c1-2-20-14-10-13(16)8-9-15(14)21(18,19)17-11-12-6-4-3-5-7-12/h3-10,17H,2,11H2,1H3
InChIKeyCILITIDTDBJVRQ-UHFFFAOYSA-N
XLogP3.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.27
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-4-bromo-2-ethoxybenzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-bromo-2-ethoxybenzenesulfonamide?
The IUPAC name of N-benzyl-4-bromo-2-ethoxybenzenesulfonamide (CID 1263164) is N-benzyl-4-bromo-2-ethoxybenzenesulfonamide.
What is the SMILES notation for N-benzyl-4-bromo-2-ethoxybenzenesulfonamide?
The canonical SMILES for N-benzyl-4-bromo-2-ethoxybenzenesulfonamide is CCOc1cc(Br)ccc1S(=O)(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-4-bromo-2-ethoxybenzenesulfonamide?
The InChIKey is CILITIDTDBJVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3S/c1-2-20-14-10-13(16)8-9-15(14)21(18,19)17-11-12-6-4-3-5-7-12/h3-10,17H,2,11H2,1H3.
What are the key properties of N-benzyl-4-bromo-2-ethoxybenzenesulfonamide?
N-benzyl-4-bromo-2-ethoxybenzenesulfonamide has a molecular weight of 370.27 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-bromo-2-ethoxybenzenesulfonamide is sourced from PubChem (CID 1263164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).