2-(4-amino-2-chlorophenyl)sulfonyl-N-carbamoylacetamide

C9H10ClN3O4S — CID 81181899

IUPAC2-(4-amino-2-chlorophenyl)sulfonyl-N-carbamoylacetamide
SMILESNC(=O)NC(=O)CS(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C9H10ClN3O4S/c10-6-3-5(11)1-2-7(6)18(16,17)4-8(14)13-9(12)15/h1-3H,4,11H2,(H3,12,13,14,15)
InChIKeySNCGUKNSZKGMGI-UHFFFAOYSA-N
MW291.72 g/mol
LogP-0.11
Rot. Bonds3

About 2-(4-amino-2-chlorophenyl)sulfonyl-N-carbamoylacetamide

2-(4-amino-2-chlorophenyl)sulfonyl-N-carbamoylacetamide (PubChem CID 81181899) has the molecular formula C9H10ClN3O4S and a molecular weight of 291.72 g/mol. Its IUPAC name is 2-(4-amino-2-chlorophenyl)sulfonyl-N-carbamoylacetamide.

Molecular Properties

Compound Name2-(4-amino-2-chlorophenyl)sulfonyl-N-carbamoylacetamide
PubChem CID81181899
Molecular FormulaC9H10ClN3O4S
Molecular Weight291.72 g/mol
Exact Mass291.01
IUPAC Name2-(4-amino-2-chlorophenyl)sulfonyl-N-carbamoylacetamide
SMILESNC(=O)NC(=O)CS(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C9H10ClN3O4S/c10-6-3-5(11)1-2-7(6)18(16,17)4-8(14)13-9(12)15/h1-3H,4,11H2,(H3,12,13,14,15)
InChIKeySNCGUKNSZKGMGI-UHFFFAOYSA-N
XLogP-0.11
TPSA132.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.72
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-chlorophenyl)sulfonyl-N-carbamoylacetamide?
The IUPAC name of 2-(4-amino-2-chlorophenyl)sulfonyl-N-carbamoylacetamide (CID 81181899) is 2-(4-amino-2-chlorophenyl)sulfonyl-N-carbamoylacetamide.
What is the SMILES notation for 2-(4-amino-2-chlorophenyl)sulfonyl-N-carbamoylacetamide?
The canonical SMILES for 2-(4-amino-2-chlorophenyl)sulfonyl-N-carbamoylacetamide is NC(=O)NC(=O)CS(=O)(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 2-(4-amino-2-chlorophenyl)sulfonyl-N-carbamoylacetamide?
The InChIKey is SNCGUKNSZKGMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O4S/c10-6-3-5(11)1-2-7(6)18(16,17)4-8(14)13-9(12)15/h1-3H,4,11H2,(H3,12,13,14,15).
What are the key properties of 2-(4-amino-2-chlorophenyl)sulfonyl-N-carbamoylacetamide?
2-(4-amino-2-chlorophenyl)sulfonyl-N-carbamoylacetamide has a molecular weight of 291.72 g/mol, XLogP of -0.11, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-chlorophenyl)sulfonyl-N-carbamoylacetamide is sourced from PubChem (CID 81181899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).