N-benzyl-2-bromo-4-[(cyclopropylamino)methyl]-N-ethylbenzenesulfonamide

C19H23BrN2O2S — CID 113241829

IUPACN-benzyl-2-bromo-4-[(cyclopropylamino)methyl]-N-ethylbenzenesulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc(CNC2CC2)cc1Br
InChIInChI=1S/C19H23BrN2O2S/c1-2-22(14-15-6-4-3-5-7-15)25(23,24)19-11-8-16(12-18(19)20)13-21-17-9-10-17/h3-8,11-12,17,21H,2,9-10,13-14H2,1H3
InChIKeyRFPGHLQLFDHQBZ-UHFFFAOYSA-N
MW423.38 g/mol
LogP3.91
Rot. Bonds8

About N-benzyl-2-bromo-4-[(cyclopropylamino)methyl]-N-ethylbenzenesulfonamide

N-benzyl-2-bromo-4-[(cyclopropylamino)methyl]-N-ethylbenzenesulfonamide (PubChem CID 113241829) has the molecular formula C19H23BrN2O2S and a molecular weight of 423.38 g/mol. Its IUPAC name is N-benzyl-2-bromo-4-[(cyclopropylamino)methyl]-N-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-2-bromo-4-[(cyclopropylamino)methyl]-N-ethylbenzenesulfonamide
PubChem CID113241829
Molecular FormulaC19H23BrN2O2S
Molecular Weight423.38 g/mol
Exact Mass422.07
IUPAC NameN-benzyl-2-bromo-4-[(cyclopropylamino)methyl]-N-ethylbenzenesulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc(CNC2CC2)cc1Br
InChIInChI=1S/C19H23BrN2O2S/c1-2-22(14-15-6-4-3-5-7-15)25(23,24)19-11-8-16(12-18(19)20)13-21-17-9-10-17/h3-8,11-12,17,21H,2,9-10,13-14H2,1H3
InChIKeyRFPGHLQLFDHQBZ-UHFFFAOYSA-N
XLogP3.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-2-bromo-4-[(cyclopropylamino)methyl]-N-ethylbenzenesulfonamide 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

N-benzyl-2-bromo-N-ethyl-4-methylbenzenesulfonamide
CID 60731895
N-benzyl-N-ethyl-2-methoxy-5-(methylaminomethyl)benzenesulfonamide
CID 113241834
4-amino-N-benzyl-N-ethyl-2-methylbenzenesulfonamide
CID 43258809
2-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 46457629
2-bromo-N-ethyl-4-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide
CID 79472642
N-benzyl-1-[4-[(cyclopropylamino)methyl]phenyl]-N-methylmethanesulfonamide
CID 113241813
N-benzyl-5-bromo-N-ethyl-1-propanoyl-2,3-dihydroindole-6-sulfonamide
CID 46504855
N-[[3-bromo-4-[[ethyl(propyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 102769498
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
N'-[[2-bromo-4-[(cyclopropylamino)methyl]phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 102771134
N-benzyl-4-bromo-N-ethyl-3-methoxybenzenesulfonamide
CID 9267358
N-benzyl-1-cyclopentyl-N-ethyl-3-methylpyrazole-4-sulfonamide
CID 42282581

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-bromo-4-[(cyclopropylamino)methyl]-N-ethylbenzenesulfonamide?
The IUPAC name of N-benzyl-2-bromo-4-[(cyclopropylamino)methyl]-N-ethylbenzenesulfonamide (CID 113241829) is N-benzyl-2-bromo-4-[(cyclopropylamino)methyl]-N-ethylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-2-bromo-4-[(cyclopropylamino)methyl]-N-ethylbenzenesulfonamide?
The canonical SMILES for N-benzyl-2-bromo-4-[(cyclopropylamino)methyl]-N-ethylbenzenesulfonamide is CCN(Cc1ccccc1)S(=O)(=O)c1ccc(CNC2CC2)cc1Br.
What is the InChIKey of N-benzyl-2-bromo-4-[(cyclopropylamino)methyl]-N-ethylbenzenesulfonamide?
The InChIKey is RFPGHLQLFDHQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O2S/c1-2-22(14-15-6-4-3-5-7-15)25(23,24)19-11-8-16(12-18(19)20)13-21-17-9-10-17/h3-8,11-12,17,21H,2,9-10,13-14H2,1H3.
What are the key properties of N-benzyl-2-bromo-4-[(cyclopropylamino)methyl]-N-ethylbenzenesulfonamide?
N-benzyl-2-bromo-4-[(cyclopropylamino)methyl]-N-ethylbenzenesulfonamide has a molecular weight of 423.38 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-bromo-4-[(cyclopropylamino)methyl]-N-ethylbenzenesulfonamide is sourced from PubChem (CID 113241829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).