2-[(2-amino-4-cyanophenyl)sulfonyl-methylamino]acetamide

C10H12N4O3S — CID 64900206

IUPAC2-[(2-amino-4-cyanophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(N)=O)S(=O)(=O)c1ccc(C#N)cc1N
InChIInChI=1S/C10H12N4O3S/c1-14(6-10(13)15)18(16,17)9-3-2-7(5-11)4-8(9)12/h2-4H,6,12H2,1H3,(H2,13,15)
InChIKeyWZXKNRHZNLHPRK-UHFFFAOYSA-N
MW268.30 g/mol
LogP-0.75
Rot. Bonds4

About 2-[(2-amino-4-cyanophenyl)sulfonyl-methylamino]acetamide

2-[(2-amino-4-cyanophenyl)sulfonyl-methylamino]acetamide (PubChem CID 64900206) has the molecular formula C10H12N4O3S and a molecular weight of 268.30 g/mol. Its IUPAC name is 2-[(2-amino-4-cyanophenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound Name2-[(2-amino-4-cyanophenyl)sulfonyl-methylamino]acetamide
PubChem CID64900206
Molecular FormulaC10H12N4O3S
Molecular Weight268.30 g/mol
Exact Mass268.06
IUPAC Name2-[(2-amino-4-cyanophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(N)=O)S(=O)(=O)c1ccc(C#N)cc1N
InChIInChI=1S/C10H12N4O3S/c1-14(6-10(13)15)18(16,17)9-3-2-7(5-11)4-8(9)12/h2-4H,6,12H2,1H3,(H2,13,15)
InChIKeyWZXKNRHZNLHPRK-UHFFFAOYSA-N
XLogP-0.75
TPSA130.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-[(2-amino-2-oxoethyl)-methylsulfamoyl]benzoic acid
CID 81471119
2-amino-4-cyano-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
CID 64900648
2-amino-4-cyano-N-methyl-N-pentan-3-ylbenzenesulfonamide
CID 64900207
2-amino-4-cyano-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
CID 102990961
2-amino-N-butyl-4-cyano-N-ethylbenzenesulfonamide
CID 64899980
2-amino-4-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 79382438
2-amino-4-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 64899797
2-amino-4-cyano-N,N-bis(2-cyanoethyl)benzenesulfonamide
CID 64898482
2-[(2-amino-4-cyanophenyl)sulfonylamino]-N-methylacetamide
CID 64899773
2-[(3-amino-2,4-difluorophenyl)sulfonyl-methylamino]acetamide
CID 107343162
2-(2-amino-4-cyano-N-methylanilino)-N-methylacetamide
CID 43518183
2-(2-amino-4-cyanophenyl)sulfonylguanidine
CID 116646270

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-cyanophenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of 2-[(2-amino-4-cyanophenyl)sulfonyl-methylamino]acetamide (CID 64900206) is 2-[(2-amino-4-cyanophenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for 2-[(2-amino-4-cyanophenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for 2-[(2-amino-4-cyanophenyl)sulfonyl-methylamino]acetamide is CN(CC(N)=O)S(=O)(=O)c1ccc(C#N)cc1N.
What is the InChIKey of 2-[(2-amino-4-cyanophenyl)sulfonyl-methylamino]acetamide?
The InChIKey is WZXKNRHZNLHPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3S/c1-14(6-10(13)15)18(16,17)9-3-2-7(5-11)4-8(9)12/h2-4H,6,12H2,1H3,(H2,13,15).
What are the key properties of 2-[(2-amino-4-cyanophenyl)sulfonyl-methylamino]acetamide?
2-[(2-amino-4-cyanophenyl)sulfonyl-methylamino]acetamide has a molecular weight of 268.30 g/mol, XLogP of -0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-cyanophenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 64900206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).