3-(benzenesulfonamido)-N-[2-(3-bromo-4-fluorophenyl)ethyl]propanamide

C17H18BrFN2O3S — CID 52703842

IUPAC3-(benzenesulfonamido)-N-[2-(3-bromo-4-fluorophenyl)ethyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)NCCc1ccc(F)c(Br)c1
InChIInChI=1S/C17H18BrFN2O3S/c18-15-12-13(6-7-16(15)19)8-10-20-17(22)9-11-21-25(23,24)14-4-2-1-3-5-14/h1-7,12,21H,8-11H2,(H,20,22)
InChIKeyAFFVARLEHIFXPZ-UHFFFAOYSA-N
MW429.31 g/mol
LogP2.62
Rot. Bonds8

About 3-(benzenesulfonamido)-N-[2-(3-bromo-4-fluorophenyl)ethyl]propanamide

3-(benzenesulfonamido)-N-[2-(3-bromo-4-fluorophenyl)ethyl]propanamide (PubChem CID 52703842) has the molecular formula C17H18BrFN2O3S and a molecular weight of 429.31 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-[2-(3-bromo-4-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-[2-(3-bromo-4-fluorophenyl)ethyl]propanamide
PubChem CID52703842
Molecular FormulaC17H18BrFN2O3S
Molecular Weight429.31 g/mol
Exact Mass428.02
IUPAC Name3-(benzenesulfonamido)-N-[2-(3-bromo-4-fluorophenyl)ethyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)NCCc1ccc(F)c(Br)c1
InChIInChI=1S/C17H18BrFN2O3S/c18-15-12-13(6-7-16(15)19)8-10-20-17(22)9-11-21-25(23,24)14-4-2-1-3-5-14/h1-7,12,21H,8-11H2,(H,20,22)
InChIKeyAFFVARLEHIFXPZ-UHFFFAOYSA-N
XLogP2.62
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.31
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(benzenesulfonamido)-N-[2-(3-bromo-4-fluorophenyl)ethyl]propanamide 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-(benzenesulfonamido)-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 18118763
3-(benzenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 27538225
methyl N-[3-[2-(3-bromo-4-fluorophenyl)ethylamino]-3-oxopropyl]carbamate
CID 56783360
3-[(4-chlorophenyl)sulfonylamino]-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 8643100
3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 24547426
3-[(4-fluorophenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide
CID 35806898
3-[(4-nitrophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
CID 17192905
[2-oxo-2-(2-phenylethylamino)ethyl] 3-(benzenesulfonamido)propanoate
CID 7913064
N-[2-(4-chlorophenyl)ethyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 2385556
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-(3,4-difluorophenyl)propanamide
CID 55609087
[[4-[2-(benzenesulfonamido)ethyl]-2-bromophenyl]-difluoromethyl]phosphonic acid
CID 11677150
N-[2-(benzenesulfonamido)ethyl]-4-(3,4-dichlorophenyl)butanamide
CID 78894551

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-[2-(3-bromo-4-fluorophenyl)ethyl]propanamide?
The IUPAC name of 3-(benzenesulfonamido)-N-[2-(3-bromo-4-fluorophenyl)ethyl]propanamide (CID 52703842) is 3-(benzenesulfonamido)-N-[2-(3-bromo-4-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-[2-(3-bromo-4-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-[2-(3-bromo-4-fluorophenyl)ethyl]propanamide is O=C(CCNS(=O)(=O)c1ccccc1)NCCc1ccc(F)c(Br)c1.
What is the InChIKey of 3-(benzenesulfonamido)-N-[2-(3-bromo-4-fluorophenyl)ethyl]propanamide?
The InChIKey is AFFVARLEHIFXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFN2O3S/c18-15-12-13(6-7-16(15)19)8-10-20-17(22)9-11-21-25(23,24)14-4-2-1-3-5-14/h1-7,12,21H,8-11H2,(H,20,22).
What are the key properties of 3-(benzenesulfonamido)-N-[2-(3-bromo-4-fluorophenyl)ethyl]propanamide?
3-(benzenesulfonamido)-N-[2-(3-bromo-4-fluorophenyl)ethyl]propanamide has a molecular weight of 429.31 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-[2-(3-bromo-4-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 52703842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).