N-(4-bromophenyl)sulfonyl-2-cyanoacetamide

C9H7BrN2O3S — CID 3848707

IUPACN-(4-bromophenyl)sulfonyl-2-cyanoacetamide
SMILESN#CCC(=O)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C9H7BrN2O3S/c10-7-1-3-8(4-2-7)16(14,15)12-9(13)5-6-11/h1-4H,5H2,(H,12,13)
InChIKeyWVBRSNPQWBZQLH-UHFFFAOYSA-N
MW303.14 g/mol
LogP1.17
Rot. Bonds3

About N-(4-bromophenyl)sulfonyl-2-cyanoacetamide

N-(4-bromophenyl)sulfonyl-2-cyanoacetamide (PubChem CID 3848707) has the molecular formula C9H7BrN2O3S and a molecular weight of 303.14 g/mol. Its IUPAC name is N-(4-bromophenyl)sulfonyl-2-cyanoacetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)sulfonyl-2-cyanoacetamide
PubChem CID3848707
Molecular FormulaC9H7BrN2O3S
Molecular Weight303.14 g/mol
Exact Mass301.94
IUPAC NameN-(4-bromophenyl)sulfonyl-2-cyanoacetamide
SMILESN#CCC(=O)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C9H7BrN2O3S/c10-7-1-3-8(4-2-7)16(14,15)12-9(13)5-6-11/h1-4H,5H2,(H,12,13)
InChIKeyWVBRSNPQWBZQLH-UHFFFAOYSA-N
XLogP1.17
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)sulfonyl-3-methylbutanamide
CID 47108774
N-(4-bromophenyl)sulfonyl-2-(4-chlorophenyl)acetamide
CID 56659875
N-(benzenesulfonyl)-2-(4-bromophenyl)acetamide
CID 47108713
4-bromo-N'-(4-cyanophenyl)sulfonylbenzohydrazide
CID 26951550
2-cyano-N-[4-(ethylsulfamoyl)phenyl]acetamide
CID 17070813
N'-(4-bromophenyl)sulfonyl-2-(4-cyanophenoxy)acetohydrazide
CID 2420734
3-[(4-bromophenyl)sulfonylamino]-N-(2-cyanophenyl)propanamide
CID 17192424
N-(4-bromophenyl)sulfonyl-2-(3-methylphenoxy)acetamide
CID 1034415
N-[4-(acetylsulfamoyl)phenyl]-4-bromobenzamide
CID 4134405
N-[(4-bromophenyl)methyl]-4-(2-cyanoethylsulfamoyl)-N-methylbenzamide
CID 32758145
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]propanamide
CID 108574108
2-[(4-bromophenyl)sulfonylamino]oxyacetic acid
CID 60661242

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)sulfonyl-2-cyanoacetamide?
The IUPAC name of N-(4-bromophenyl)sulfonyl-2-cyanoacetamide (CID 3848707) is N-(4-bromophenyl)sulfonyl-2-cyanoacetamide.
What is the SMILES notation for N-(4-bromophenyl)sulfonyl-2-cyanoacetamide?
The canonical SMILES for N-(4-bromophenyl)sulfonyl-2-cyanoacetamide is N#CCC(=O)NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)sulfonyl-2-cyanoacetamide?
The InChIKey is WVBRSNPQWBZQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O3S/c10-7-1-3-8(4-2-7)16(14,15)12-9(13)5-6-11/h1-4H,5H2,(H,12,13).
What are the key properties of N-(4-bromophenyl)sulfonyl-2-cyanoacetamide?
N-(4-bromophenyl)sulfonyl-2-cyanoacetamide has a molecular weight of 303.14 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)sulfonyl-2-cyanoacetamide is sourced from PubChem (CID 3848707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).