3-[(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide

C15H14BrFN2O3S — CID 2576569

IUPAC3-[(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Br)cc1)Nc1cccc(F)c1
InChIInChI=1S/C15H14BrFN2O3S/c16-11-4-6-14(7-5-11)23(21,22)18-9-8-15(20)19-13-3-1-2-12(17)10-13/h1-7,10,18H,8-9H2,(H,19,20)
InChIKeyDECBRMAIWPPVCE-UHFFFAOYSA-N
MW401.26 g/mol
LogP2.90
Rot. Bonds6

About 3-[(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide

3-[(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide (PubChem CID 2576569) has the molecular formula C15H14BrFN2O3S and a molecular weight of 401.26 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide
PubChem CID2576569
Molecular FormulaC15H14BrFN2O3S
Molecular Weight401.26 g/mol
Exact Mass399.99
IUPAC Name3-[(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Br)cc1)Nc1cccc(F)c1
InChIInChI=1S/C15H14BrFN2O3S/c16-11-4-6-14(7-5-11)23(21,22)18-9-8-15(20)19-13-3-1-2-12(17)10-13/h1-7,10,18H,8-9H2,(H,19,20)
InChIKeyDECBRMAIWPPVCE-UHFFFAOYSA-N
XLogP2.90
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.26
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)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

N-(3-fluorophenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192108
3-[(3-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide
CID 9412446
3-(benzenesulfonamido)-N-(3-fluorophenyl)propanamide
CID 9412312
N-(3-fluorophenyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192589
3-[(4-bromophenyl)sulfonylamino]-N-(3-methoxyphenyl)propanamide
CID 17192407
3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 26644643
3-[(4-bromophenyl)sulfonylamino]-N-pyridin-4-ylpropanamide
CID 17192375
3-[(3-bromophenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide
CID 42053193
N-(3-fluorophenyl)-3-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]propanamide
CID 126459076
3-[(4-bromophenyl)sulfonylamino]-N-(4-methylsulfanylphenyl)propanamide
CID 42369215
3-[(4-bromophenyl)sulfonylamino]-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 17192480
2-(benzenesulfonamido)-N-(3-fluorophenyl)acetamide
CID 891841

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide?
The IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide (CID 2576569) is 3-[(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide is O=C(CCNS(=O)(=O)c1ccc(Br)cc1)Nc1cccc(F)c1.
What is the InChIKey of 3-[(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide?
The InChIKey is DECBRMAIWPPVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O3S/c16-11-4-6-14(7-5-11)23(21,22)18-9-8-15(20)19-13-3-1-2-12(17)10-13/h1-7,10,18H,8-9H2,(H,19,20).
What are the key properties of 3-[(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide?
3-[(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide has a molecular weight of 401.26 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide is sourced from PubChem (CID 2576569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).