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

C16H14BrN3O3S — CID 9245597

IUPAC3-[(2-bromophenyl)sulfonylamino]-N-(3-cyanophenyl)propanamide
SMILESN#Cc1cccc(NC(=O)CCNS(=O)(=O)c2ccccc2Br)c1
InChIInChI=1S/C16H14BrN3O3S/c17-14-6-1-2-7-15(14)24(22,23)19-9-8-16(21)20-13-5-3-4-12(10-13)11-18/h1-7,10,19H,8-9H2,(H,20,21)
InChIKeyCEYYLVICNZWEGF-UHFFFAOYSA-N
MW408.28 g/mol
LogP2.63
Rot. Bonds6

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

3-[(2-bromophenyl)sulfonylamino]-N-(3-cyanophenyl)propanamide (PubChem CID 9245597) has the molecular formula C16H14BrN3O3S and a molecular weight of 408.28 g/mol. Its IUPAC name is 3-[(2-bromophenyl)sulfonylamino]-N-(3-cyanophenyl)propanamide.

Molecular Properties

Compound Name3-[(2-bromophenyl)sulfonylamino]-N-(3-cyanophenyl)propanamide
PubChem CID9245597
Molecular FormulaC16H14BrN3O3S
Molecular Weight408.28 g/mol
Exact Mass406.99
IUPAC Name3-[(2-bromophenyl)sulfonylamino]-N-(3-cyanophenyl)propanamide
SMILESN#Cc1cccc(NC(=O)CCNS(=O)(=O)c2ccccc2Br)c1
InChIInChI=1S/C16H14BrN3O3S/c17-14-6-1-2-7-15(14)24(22,23)19-9-8-16(21)20-13-5-3-4-12(10-13)11-18/h1-7,10,19H,8-9H2,(H,20,21)
InChIKeyCEYYLVICNZWEGF-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-[(2-bromophenyl)sulfonylamino]-N-phenylpropanamide
CID 9340921
3-(tert-butylamino)-N-(3-cyanophenyl)propanamide
CID 60716477
N-(3-cyanophenyl)-2-phenylacetamide
CID 729975
N-(3-cyanophenyl)-3-(2,6-diethylanilino)propanamide
CID 109037144
2-[(2-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
CID 9412386
2-(4-bromophenyl)-N-(3-cyanophenyl)acetamide
CID 2124999
N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 55689090
N-(3-bromophenyl)-3-(4-cyanoanilino)propanamide
CID 109042157
N-(3-cyanophenyl)-3-(2,3-dimethylanilino)propanamide
CID 109036090
N-(3-cyanophenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689054
N-(3-cyanophenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019404
N-(3-cyanophenyl)-3-(2,4-dimethylanilino)propanamide
CID 109035241

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)sulfonylamino]-N-(3-cyanophenyl)propanamide?
The IUPAC name of 3-[(2-bromophenyl)sulfonylamino]-N-(3-cyanophenyl)propanamide (CID 9245597) is 3-[(2-bromophenyl)sulfonylamino]-N-(3-cyanophenyl)propanamide.
What is the SMILES notation for 3-[(2-bromophenyl)sulfonylamino]-N-(3-cyanophenyl)propanamide?
The canonical SMILES for 3-[(2-bromophenyl)sulfonylamino]-N-(3-cyanophenyl)propanamide is N#Cc1cccc(NC(=O)CCNS(=O)(=O)c2ccccc2Br)c1.
What is the InChIKey of 3-[(2-bromophenyl)sulfonylamino]-N-(3-cyanophenyl)propanamide?
The InChIKey is CEYYLVICNZWEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O3S/c17-14-6-1-2-7-15(14)24(22,23)19-9-8-16(21)20-13-5-3-4-12(10-13)11-18/h1-7,10,19H,8-9H2,(H,20,21).
What are the key properties of 3-[(2-bromophenyl)sulfonylamino]-N-(3-cyanophenyl)propanamide?
3-[(2-bromophenyl)sulfonylamino]-N-(3-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-[(2-bromophenyl)sulfonylamino]-N-(3-cyanophenyl)propanamide is sourced from PubChem (CID 9245597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).