N-(2-bromo-5-chlorophenyl)-3-(cyclopropylamino)propane-1-sulfonamide

C12H16BrClN2O2S — CID 106073353

IUPACN-(2-bromo-5-chlorophenyl)-3-(cyclopropylamino)propane-1-sulfonamide
SMILESO=S(=O)(CCCNC1CC1)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C12H16BrClN2O2S/c13-11-5-2-9(14)8-12(11)16-19(17,18)7-1-6-15-10-3-4-10/h2,5,8,10,15-16H,1,3-4,6-7H2
InChIKeyYOKLTHTXCDKMPW-UHFFFAOYSA-N
MW367.70 g/mol
LogP2.99
Rot. Bonds7

About N-(2-bromo-5-chlorophenyl)-3-(cyclopropylamino)propane-1-sulfonamide

N-(2-bromo-5-chlorophenyl)-3-(cyclopropylamino)propane-1-sulfonamide (PubChem CID 106073353) has the molecular formula C12H16BrClN2O2S and a molecular weight of 367.70 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)-3-(cyclopropylamino)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)-3-(cyclopropylamino)propane-1-sulfonamide
PubChem CID106073353
Molecular FormulaC12H16BrClN2O2S
Molecular Weight367.70 g/mol
Exact Mass365.98
IUPAC NameN-(2-bromo-5-chlorophenyl)-3-(cyclopropylamino)propane-1-sulfonamide
SMILESO=S(=O)(CCCNC1CC1)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C12H16BrClN2O2S/c13-11-5-2-9(14)8-12(11)16-19(17,18)7-1-6-15-10-3-4-10/h2,5,8,10,15-16H,1,3-4,6-7H2
InChIKeyYOKLTHTXCDKMPW-UHFFFAOYSA-N
XLogP2.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.70
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-bromo-5-chlorophenyl)-3-(cyclopropylamino)propane-1-sulfonamide 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-(5-chloro-2-methylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106031181
N-(2-bromophenyl)-4-(cyclopropylamino)butane-1-sulfonamide
CID 106061301
N-(2-bromo-4-methylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106043185
N-(2-chloro-4-fluorophenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106029188
3-(cyclopropylamino)-N-(2,3-dichlorophenyl)propane-1-sulfonamide
CID 106030688
2-bromo-4-chloro-1-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]benzene
CID 106073444
N-(3-bromophenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106061607
N-(3-bromo-5-methylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106089298
3-(cyclopropylamino)-N-(2-ethylphenyl)propane-1-sulfonamide
CID 107591687
4-(cyclopropylamino)-N-(3,4-difluorophenyl)butane-1-sulfonamide
CID 106060068
3-amino-N-(2-bromo-4-chlorophenyl)propane-1-sulfonamide
CID 81263929
N-(2-bromo-5-chlorophenyl)-2-methylpropane-1-sulfonamide
CID 81273468

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)-3-(cyclopropylamino)propane-1-sulfonamide?
The IUPAC name of N-(2-bromo-5-chlorophenyl)-3-(cyclopropylamino)propane-1-sulfonamide (CID 106073353) is N-(2-bromo-5-chlorophenyl)-3-(cyclopropylamino)propane-1-sulfonamide.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)-3-(cyclopropylamino)propane-1-sulfonamide?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)-3-(cyclopropylamino)propane-1-sulfonamide is O=S(=O)(CCCNC1CC1)Nc1cc(Cl)ccc1Br.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)-3-(cyclopropylamino)propane-1-sulfonamide?
The InChIKey is YOKLTHTXCDKMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O2S/c13-11-5-2-9(14)8-12(11)16-19(17,18)7-1-6-15-10-3-4-10/h2,5,8,10,15-16H,1,3-4,6-7H2.
What are the key properties of N-(2-bromo-5-chlorophenyl)-3-(cyclopropylamino)propane-1-sulfonamide?
N-(2-bromo-5-chlorophenyl)-3-(cyclopropylamino)propane-1-sulfonamide has a molecular weight of 367.70 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chlorophenyl)-3-(cyclopropylamino)propane-1-sulfonamide is sourced from PubChem (CID 106073353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).