3-[(4-bromophenyl)sulfonylamino]-N-(2-cyanophenyl)propanamide

C16H14BrN3O3S — CID 17192424

IUPAC3-[(4-bromophenyl)sulfonylamino]-N-(2-cyanophenyl)propanamide
SMILESN#Cc1ccccc1NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrN3O3S/c17-13-5-7-14(8-6-13)24(22,23)19-10-9-16(21)20-15-4-2-1-3-12(15)11-18/h1-8,19H,9-10H2,(H,20,21)
InChIKeyOABSGMIZSGBOAF-UHFFFAOYSA-N
MW408.28 g/mol
LogP2.63
Rot. Bonds6

About 3-[(4-bromophenyl)sulfonylamino]-N-(2-cyanophenyl)propanamide

3-[(4-bromophenyl)sulfonylamino]-N-(2-cyanophenyl)propanamide (PubChem CID 17192424) has the molecular formula C16H14BrN3O3S and a molecular weight of 408.28 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfonylamino]-N-(2-cyanophenyl)propanamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfonylamino]-N-(2-cyanophenyl)propanamide
PubChem CID17192424
Molecular FormulaC16H14BrN3O3S
Molecular Weight408.28 g/mol
Exact Mass406.99
IUPAC Name3-[(4-bromophenyl)sulfonylamino]-N-(2-cyanophenyl)propanamide
SMILESN#Cc1ccccc1NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrN3O3S/c17-13-5-7-14(8-6-13)24(22,23)19-10-9-16(21)20-15-4-2-1-3-12(15)11-18/h1-8,19H,9-10H2,(H,20,21)
InChIKeyOABSGMIZSGBOAF-UHFFFAOYSA-N
XLogP2.63
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.28
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonamido)-N-(2-cyanophenyl)propanamide
CID 17225888
3-[(4-bromophenyl)sulfonylamino]-N-(2,3-dichlorophenyl)propanamide
CID 17192422
3-[(4-bromophenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)propanamide
CID 17192350
[2-(2-cyanoanilino)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 2559727
N-(2-cyanophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide
CID 113001872
3-[(4-bromophenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)propanamide
CID 17192374
N-(2-cyanophenyl)-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
CID 122189465
3-[(4-bromophenyl)sulfonylamino]-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 17192480
3-[(4-bromophenyl)methyl-methylamino]-N-(2-cyanophenyl)propanamide
CID 55482813
3-[(4-bromophenyl)sulfonylamino]-N-(2-phenylpyrimidin-5-yl)propanamide
CID 134009303
N-(2-cyanophenyl)-3-hydroxypropanamide
CID 43165059
[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 7168395

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-(2-cyanophenyl)propanamide?
The IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-(2-cyanophenyl)propanamide (CID 17192424) is 3-[(4-bromophenyl)sulfonylamino]-N-(2-cyanophenyl)propanamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfonylamino]-N-(2-cyanophenyl)propanamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfonylamino]-N-(2-cyanophenyl)propanamide is N#Cc1ccccc1NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 3-[(4-bromophenyl)sulfonylamino]-N-(2-cyanophenyl)propanamide?
The InChIKey is OABSGMIZSGBOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O3S/c17-13-5-7-14(8-6-13)24(22,23)19-10-9-16(21)20-15-4-2-1-3-12(15)11-18/h1-8,19H,9-10H2,(H,20,21).
What are the key properties of 3-[(4-bromophenyl)sulfonylamino]-N-(2-cyanophenyl)propanamide?
3-[(4-bromophenyl)sulfonylamino]-N-(2-cyanophenyl)propanamide has a molecular weight of 408.28 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfonylamino]-N-(2-cyanophenyl)propanamide is sourced from PubChem (CID 17192424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).