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

C15H14BrFN2O3S — CID 42053193

IUPAC3-[(3-bromophenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1cccc(Br)c1)Nc1ccc(F)cc1
InChIInChI=1S/C15H14BrFN2O3S/c16-11-2-1-3-14(10-11)23(21,22)18-9-8-15(20)19-13-6-4-12(17)5-7-13/h1-7,10,18H,8-9H2,(H,19,20)
InChIKeyPWKVQIDPYXNGBV-UHFFFAOYSA-N
MW401.26 g/mol
LogP2.90
Rot. Bonds6

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

3-[(3-bromophenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide (PubChem CID 42053193) has the molecular formula C15H14BrFN2O3S and a molecular weight of 401.26 g/mol. Its IUPAC name is 3-[(3-bromophenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[(3-bromophenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide
PubChem CID42053193
Molecular FormulaC15H14BrFN2O3S
Molecular Weight401.26 g/mol
Exact Mass399.99
IUPAC Name3-[(3-bromophenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1cccc(Br)c1)Nc1ccc(F)cc1
InChIInChI=1S/C15H14BrFN2O3S/c16-11-2-1-3-14(10-11)23(21,22)18-9-8-15(20)19-13-6-4-12(17)5-7-13/h1-7,10,18H,8-9H2,(H,19,20)
InChIKeyPWKVQIDPYXNGBV-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-[(3-bromophenyl)sulfonylamino]-N-(4-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

3-[(3-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide
CID 9412446
3-[(3-bromophenyl)sulfonylamino]-N-[4-(propanoylamino)phenyl]propanamide
CID 55846241
3-[(3-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
CID 26696299
N-(3-fluorophenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192108
3-[(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide
CID 2576569
3-[(3-bromophenyl)sulfonylamino]-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]propanamide
CID 55950292
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 9452229
N-(3-bromophenyl)-3-(4-fluoroanilino)propanamide
CID 109037759
3-[(3-bromophenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)propanamide
CID 35505773
3-[(3-bromophenyl)sulfonylamino]propanamide
CID 60639037
3-(benzenesulfonamido)-N-(3-fluorophenyl)propanamide
CID 9412312
3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)phenyl]propanamide
CID 25373946

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide?
The IUPAC name of 3-[(3-bromophenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide (CID 42053193) is 3-[(3-bromophenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for 3-[(3-bromophenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide?
The canonical SMILES for 3-[(3-bromophenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide is O=C(CCNS(=O)(=O)c1cccc(Br)c1)Nc1ccc(F)cc1.
What is the InChIKey of 3-[(3-bromophenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide?
The InChIKey is PWKVQIDPYXNGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O3S/c16-11-2-1-3-14(10-11)23(21,22)18-9-8-15(20)19-13-6-4-12(17)5-7-13/h1-7,10,18H,8-9H2,(H,19,20).
What are the key properties of 3-[(3-bromophenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide?
3-[(3-bromophenyl)sulfonylamino]-N-(4-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-[(3-bromophenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 42053193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).