2-(4-aminophenyl)sulfonyl-N-(cyanomethyl)acetamide

C10H11N3O3S — CID 61368216

IUPAC2-(4-aminophenyl)sulfonyl-N-(cyanomethyl)acetamide
SMILESN#CCNC(=O)CS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C10H11N3O3S/c11-5-6-13-10(14)7-17(15,16)9-3-1-8(12)2-4-9/h1-4H,6-7,12H2,(H,13,14)
InChIKeyXXAFNGOBOXESHK-UHFFFAOYSA-N
MW253.28 g/mol
LogP-0.32
Rot. Bonds4

About 2-(4-aminophenyl)sulfonyl-N-(cyanomethyl)acetamide

2-(4-aminophenyl)sulfonyl-N-(cyanomethyl)acetamide (PubChem CID 61368216) has the molecular formula C10H11N3O3S and a molecular weight of 253.28 g/mol. Its IUPAC name is 2-(4-aminophenyl)sulfonyl-N-(cyanomethyl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)sulfonyl-N-(cyanomethyl)acetamide
PubChem CID61368216
Molecular FormulaC10H11N3O3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC Name2-(4-aminophenyl)sulfonyl-N-(cyanomethyl)acetamide
SMILESN#CCNC(=O)CS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C10H11N3O3S/c11-5-6-13-10(14)7-17(15,16)9-3-1-8(12)2-4-9/h1-4H,6-7,12H2,(H,13,14)
InChIKeyXXAFNGOBOXESHK-UHFFFAOYSA-N
XLogP-0.32
TPSA113.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-2-methylphenyl)sulfonyl-N-(cyanomethyl)acetamide
CID 81193116
2-chloro-5-[2-(cyanomethylamino)-2-oxoethyl]sulfonylbenzoic acid
CID 43141007
2-(4-aminophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide
CID 61492492
2-(4-aminophenyl)sulfonyl-N-carbamoylacetamide
CID 61369547
2-chloro-4-[2-(cyanomethylamino)-2-oxoethyl]sulfonylbenzoic acid
CID 107090386
N-(2-aminoethyl)-2-(4-methylphenyl)sulfonylacetamide
CID 64697569
N-(4-aminophenyl)-2-(benzenesulfonyl)acetamide
CID 43444150
N-[(4-aminophenyl)sulfonylmethyl]carbamate
CID 23617981
3-[2-(cyanomethylamino)-2-oxoethyl]sulfonyl-2,6-difluorobenzoic acid
CID 43323721
2-(4-aminophenyl)sulfonyl-N-(oxan-4-yl)acetamide
CID 63098200
N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)sulfonylacetamide
CID 119630251
2-(4-methylphenyl)sulfonyl-N-propylacetamide
CID 3481576

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)sulfonyl-N-(cyanomethyl)acetamide?
The IUPAC name of 2-(4-aminophenyl)sulfonyl-N-(cyanomethyl)acetamide (CID 61368216) is 2-(4-aminophenyl)sulfonyl-N-(cyanomethyl)acetamide.
What is the SMILES notation for 2-(4-aminophenyl)sulfonyl-N-(cyanomethyl)acetamide?
The canonical SMILES for 2-(4-aminophenyl)sulfonyl-N-(cyanomethyl)acetamide is N#CCNC(=O)CS(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)sulfonyl-N-(cyanomethyl)acetamide?
The InChIKey is XXAFNGOBOXESHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S/c11-5-6-13-10(14)7-17(15,16)9-3-1-8(12)2-4-9/h1-4H,6-7,12H2,(H,13,14).
What are the key properties of 2-(4-aminophenyl)sulfonyl-N-(cyanomethyl)acetamide?
2-(4-aminophenyl)sulfonyl-N-(cyanomethyl)acetamide has a molecular weight of 253.28 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)sulfonyl-N-(cyanomethyl)acetamide is sourced from PubChem (CID 61368216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).