N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-bromo-4-chlorobenzenesulfonamide

C15H13BrClNO2S — CID 106610930

IUPACN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-bromo-4-chlorobenzenesulfonamide
SMILESO=S(=O)(NCC1Cc2ccccc21)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H13BrClNO2S/c16-14-8-12(5-6-15(14)17)21(19,20)18-9-11-7-10-3-1-2-4-13(10)11/h1-6,8,11,18H,7,9H2
InChIKeyWIUYAKWKRXYIQP-UHFFFAOYSA-N
MW386.70 g/mol
LogP3.72
Rot. Bonds4

About N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-bromo-4-chlorobenzenesulfonamide

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-bromo-4-chlorobenzenesulfonamide (PubChem CID 106610930) has the molecular formula C15H13BrClNO2S and a molecular weight of 386.70 g/mol. Its IUPAC name is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-bromo-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-bromo-4-chlorobenzenesulfonamide
PubChem CID106610930
Molecular FormulaC15H13BrClNO2S
Molecular Weight386.70 g/mol
Exact Mass384.95
IUPAC NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-bromo-4-chlorobenzenesulfonamide
SMILESO=S(=O)(NCC1Cc2ccccc21)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H13BrClNO2S/c16-14-8-12(5-6-15(14)17)21(19,20)18-9-11-7-10-3-1-2-4-13(10)11/h1-6,8,11,18H,7,9H2
InChIKeyWIUYAKWKRXYIQP-UHFFFAOYSA-N
XLogP3.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.70
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-bromo-4-chlorobenzenesulfonamide 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

6-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-chloropyridine-3-sulfonamide
CID 66407160
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,5-dibromobenzenesulfonamide
CID 60824398
3-(aminomethyl)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)benzenesulfonamide
CID 66407564
3-bromo-4-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide
CID 107854598
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116528153
N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide
CID 99812285
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 126783071
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-bromo-2-chloroaniline
CID 66419693
3-bromo-4-chloro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide
CID 106612261
4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-3-bromobenzenesulfonyl chloride
CID 66417913
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)propane-1-sulfonamide
CID 61384267
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-(hydroxymethyl)furan-2-sulfonamide
CID 66409130

Frequently Asked Questions

What is the IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-bromo-4-chlorobenzenesulfonamide?
The IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-bromo-4-chlorobenzenesulfonamide (CID 106610930) is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-bromo-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-bromo-4-chlorobenzenesulfonamide?
The canonical SMILES for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-bromo-4-chlorobenzenesulfonamide is O=S(=O)(NCC1Cc2ccccc21)c1ccc(Cl)c(Br)c1.
What is the InChIKey of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-bromo-4-chlorobenzenesulfonamide?
The InChIKey is WIUYAKWKRXYIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO2S/c16-14-8-12(5-6-15(14)17)21(19,20)18-9-11-7-10-3-1-2-4-13(10)11/h1-6,8,11,18H,7,9H2.
What are the key properties of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-bromo-4-chlorobenzenesulfonamide?
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-bromo-4-chlorobenzenesulfonamide has a molecular weight of 386.70 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-bromo-4-chlorobenzenesulfonamide is sourced from PubChem (CID 106610930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).