2-[(4-cyanophenyl)sulfonylamino]acetamide

C9H9N3O3S — CID 4844985

IUPAC2-[(4-cyanophenyl)sulfonylamino]acetamide
SMILESN#Cc1ccc(S(=O)(=O)NCC(N)=O)cc1
InChIInChI=1S/C9H9N3O3S/c10-5-7-1-3-8(4-2-7)16(14,15)12-6-9(11)13/h1-4,12H,6H2,(H2,11,13)
InChIKeyUPUTXYVUUHGZLR-UHFFFAOYSA-N
MW239.26 g/mol
LogP-0.68
Rot. Bonds4

About 2-[(4-cyanophenyl)sulfonylamino]acetamide

2-[(4-cyanophenyl)sulfonylamino]acetamide (PubChem CID 4844985) has the molecular formula C9H9N3O3S and a molecular weight of 239.26 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)sulfonylamino]acetamide.

Molecular Properties

Compound Name2-[(4-cyanophenyl)sulfonylamino]acetamide
PubChem CID4844985
Molecular FormulaC9H9N3O3S
Molecular Weight239.26 g/mol
Exact Mass239.04
IUPAC Name2-[(4-cyanophenyl)sulfonylamino]acetamide
SMILESN#Cc1ccc(S(=O)(=O)NCC(N)=O)cc1
InChIInChI=1S/C9H9N3O3S/c10-5-7-1-3-8(4-2-7)16(14,15)12-6-9(11)13/h1-4,12H,6H2,(H2,11,13)
InChIKeyUPUTXYVUUHGZLR-UHFFFAOYSA-N
XLogP-0.68
TPSA113.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-(3-methyl-2-oxobutyl)benzenesulfonamide
CID 64996357
2-[(4-aminophenyl)sulfonylamino]acetamide
CID 3678127
2-[(4-hydrazinylphenyl)sulfonylamino]acetamide
CID 43545768
2-chloroprop-2-enyl 2-[(4-cyanophenyl)sulfonylamino]acetate
CID 46543973
2-[(4-tert-butylphenyl)sulfonylamino]acetamide
CID 9189386
2-(4-methylphenoxy)ethyl 2-[(4-cyanophenyl)sulfonylamino]acetate
CID 7679281
2-[4-[(4-cyanophenyl)sulfonylamino]phenyl]acetamide
CID 39342828
2-[[4-(2-chloroethyl)phenyl]sulfonylamino]acetamide
CID 43662654
2-[(4-tert-butylphenyl)sulfonylamino]-N-(4-cyanophenyl)acetamide
CID 113002113
[4-(trifluoromethyl)phenyl]methyl 2-[(4-cyanophenyl)sulfonylamino]acetate
CID 39605970
N-benzyl-2-[(4-cyanophenyl)sulfonylamino]-N-methylacetamide
CID 112760070
6-[(4-cyanophenyl)sulfonylamino]hexanoic acid
CID 28530885

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)sulfonylamino]acetamide?
The IUPAC name of 2-[(4-cyanophenyl)sulfonylamino]acetamide (CID 4844985) is 2-[(4-cyanophenyl)sulfonylamino]acetamide.
What is the SMILES notation for 2-[(4-cyanophenyl)sulfonylamino]acetamide?
The canonical SMILES for 2-[(4-cyanophenyl)sulfonylamino]acetamide is N#Cc1ccc(S(=O)(=O)NCC(N)=O)cc1.
What is the InChIKey of 2-[(4-cyanophenyl)sulfonylamino]acetamide?
The InChIKey is UPUTXYVUUHGZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3S/c10-5-7-1-3-8(4-2-7)16(14,15)12-6-9(11)13/h1-4,12H,6H2,(H2,11,13).
What are the key properties of 2-[(4-cyanophenyl)sulfonylamino]acetamide?
2-[(4-cyanophenyl)sulfonylamino]acetamide has a molecular weight of 239.26 g/mol, XLogP of -0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)sulfonylamino]acetamide is sourced from PubChem (CID 4844985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).