2-(4-aminophenyl)sulfonyl-N-carbamoylacetamide

C9H11N3O4S — CID 61369547

IUPAC2-(4-aminophenyl)sulfonyl-N-carbamoylacetamide
SMILESNC(=O)NC(=O)CS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C9H11N3O4S/c10-6-1-3-7(4-2-6)17(15,16)5-8(13)12-9(11)14/h1-4H,5,10H2,(H3,11,12,13,14)
InChIKeyMLCNZWQWKGQOEQ-UHFFFAOYSA-N
MW257.27 g/mol
LogP-0.76
Rot. Bonds3

About 2-(4-aminophenyl)sulfonyl-N-carbamoylacetamide

2-(4-aminophenyl)sulfonyl-N-carbamoylacetamide (PubChem CID 61369547) has the molecular formula C9H11N3O4S and a molecular weight of 257.27 g/mol. Its IUPAC name is 2-(4-aminophenyl)sulfonyl-N-carbamoylacetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)sulfonyl-N-carbamoylacetamide
PubChem CID61369547
Molecular FormulaC9H11N3O4S
Molecular Weight257.27 g/mol
Exact Mass257.05
IUPAC Name2-(4-aminophenyl)sulfonyl-N-carbamoylacetamide
SMILESNC(=O)NC(=O)CS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C9H11N3O4S/c10-6-1-3-7(4-2-6)17(15,16)5-8(13)12-9(11)14/h1-4H,5,10H2,(H3,11,12,13,14)
InChIKeyMLCNZWQWKGQOEQ-UHFFFAOYSA-N
XLogP-0.76
TPSA132.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide
CID 61492492
2-(4-amino-2-chlorophenyl)sulfonyl-N-carbamoylacetamide
CID 81181899
2-(4-aminophenyl)sulfonyl-N-(cyanomethyl)acetamide
CID 61368216
2-(4-aminophenyl)sulfonyl-N-(diaminomethylidene)acetamide
CID 154194116
N-(4-aminophenyl)-2-(benzenesulfonyl)acetamide
CID 43444150
2-[(4-aminophenyl)sulfonylamino]acetamide
CID 3678127
2-(4-aminophenyl)sulfonyl-N-(oxan-4-yl)acetamide
CID 63098200
2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-carbamoylacetamide
CID 61368394
3-(4-aminophenyl)sulfonylpropanamide
CID 61367837
2-(3-amino-2-methylphenyl)sulfonyl-N-carbamoylacetamide
CID 81190318
N-[(4-aminophenyl)sulfonylmethyl]carbamate
CID 23617981
4-(chloromethylsulfonyl)aniline
CID 12707626

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)sulfonyl-N-carbamoylacetamide?
The IUPAC name of 2-(4-aminophenyl)sulfonyl-N-carbamoylacetamide (CID 61369547) is 2-(4-aminophenyl)sulfonyl-N-carbamoylacetamide.
What is the SMILES notation for 2-(4-aminophenyl)sulfonyl-N-carbamoylacetamide?
The canonical SMILES for 2-(4-aminophenyl)sulfonyl-N-carbamoylacetamide is NC(=O)NC(=O)CS(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)sulfonyl-N-carbamoylacetamide?
The InChIKey is MLCNZWQWKGQOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4S/c10-6-1-3-7(4-2-6)17(15,16)5-8(13)12-9(11)14/h1-4H,5,10H2,(H3,11,12,13,14).
What are the key properties of 2-(4-aminophenyl)sulfonyl-N-carbamoylacetamide?
2-(4-aminophenyl)sulfonyl-N-carbamoylacetamide has a molecular weight of 257.27 g/mol, XLogP of -0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)sulfonyl-N-carbamoylacetamide is sourced from PubChem (CID 61369547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).