3-(aminomethyl)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)benzenesulfonamide

C16H18N2O2S — CID 66407564

IUPAC3-(aminomethyl)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)benzenesulfonamide
SMILESNCc1cccc(S(=O)(=O)NCC2Cc3ccccc32)c1
InChIInChI=1S/C16H18N2O2S/c17-10-12-4-3-6-15(8-12)21(19,20)18-11-14-9-13-5-1-2-7-16(13)14/h1-8,14,18H,9-11,17H2
InChIKeyDZTMUSRYVQLGMI-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.76
Rot. Bonds5

About 3-(aminomethyl)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)benzenesulfonamide

3-(aminomethyl)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)benzenesulfonamide (PubChem CID 66407564) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)benzenesulfonamide
PubChem CID66407564
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name3-(aminomethyl)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)benzenesulfonamide
SMILESNCc1cccc(S(=O)(=O)NCC2Cc3ccccc32)c1
InChIInChI=1S/C16H18N2O2S/c17-10-12-4-3-6-15(8-12)21(19,20)18-11-14-9-13-5-1-2-7-16(13)14/h1-8,14,18H,9-11,17H2
InChIKeyDZTMUSRYVQLGMI-UHFFFAOYSA-N
XLogP1.76
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(aminomethyl)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)benzenesulfonamide 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-(aminomethyl)-N-(cyclopropylmethyl)benzenesulfonamide
CID 16794301
1-(3-aminophenyl)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)methanesulfonamide
CID 61116120
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-bromo-4-chlorobenzenesulfonamide
CID 106610930
6-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-chloropyridine-3-sulfonamide
CID 66407160
1-(4-aminophenyl)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)methanesulfonamide
CID 61115929
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)propane-1-sulfonamide
CID 61384267
2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-fluorobenzenesulfonamide
CID 61113853
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)-2-hydroxyethanesulfonamide
CID 79578516
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,5-dibromobenzenesulfonamide
CID 60824398
3-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide
CID 115406483
3-(aminomethyl)-N-(2,2-dimethylbutyl)benzenesulfonamide
CID 103461066

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)benzenesulfonamide (CID 66407564) is 3-(aminomethyl)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)benzenesulfonamide is NCc1cccc(S(=O)(=O)NCC2Cc3ccccc32)c1.
What is the InChIKey of 3-(aminomethyl)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)benzenesulfonamide?
The InChIKey is DZTMUSRYVQLGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c17-10-12-4-3-6-15(8-12)21(19,20)18-11-14-9-13-5-1-2-7-16(13)14/h1-8,14,18H,9-11,17H2.
What are the key properties of 3-(aminomethyl)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)benzenesulfonamide?
3-(aminomethyl)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)benzenesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)benzenesulfonamide is sourced from PubChem (CID 66407564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).