2,2,2-trichloro-N-[(4-methylphenyl)sulfonylcarbamoyl]acetamide

C10H9Cl3N2O4S — CID 3078901

IUPAC2,2,2-trichloro-N-[(4-methylphenyl)sulfonylcarbamoyl]acetamide
SMILESCc1ccc(S(=O)(=O)NC(=O)NC(=O)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C10H9Cl3N2O4S/c1-6-2-4-7(5-3-6)20(18,19)15-9(17)14-8(16)10(11,12)13/h2-5H,1H3,(H2,14,15,16,17)
InChIKeyLRMLKMTZWHAJTN-UHFFFAOYSA-N
MW359.62 g/mol
LogP1.88
Rot. Bonds2

About 2,2,2-trichloro-N-[(4-methylphenyl)sulfonylcarbamoyl]acetamide

2,2,2-trichloro-N-[(4-methylphenyl)sulfonylcarbamoyl]acetamide (PubChem CID 3078901) has the molecular formula C10H9Cl3N2O4S and a molecular weight of 359.62 g/mol. Its IUPAC name is 2,2,2-trichloro-N-[(4-methylphenyl)sulfonylcarbamoyl]acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-[(4-methylphenyl)sulfonylcarbamoyl]acetamide
PubChem CID3078901
Molecular FormulaC10H9Cl3N2O4S
Molecular Weight359.62 g/mol
Exact Mass357.93
IUPAC Name2,2,2-trichloro-N-[(4-methylphenyl)sulfonylcarbamoyl]acetamide
SMILESCc1ccc(S(=O)(=O)NC(=O)NC(=O)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C10H9Cl3N2O4S/c1-6-2-4-7(5-3-6)20(18,19)15-9(17)14-8(16)10(11,12)13/h2-5H,1H3,(H2,14,15,16,17)
InChIKeyLRMLKMTZWHAJTN-UHFFFAOYSA-N
XLogP1.88
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.62
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-[(4-methylphenyl)sulfonylcarbamoyl]acetamide?
The IUPAC name of 2,2,2-trichloro-N-[(4-methylphenyl)sulfonylcarbamoyl]acetamide (CID 3078901) is 2,2,2-trichloro-N-[(4-methylphenyl)sulfonylcarbamoyl]acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-[(4-methylphenyl)sulfonylcarbamoyl]acetamide?
The canonical SMILES for 2,2,2-trichloro-N-[(4-methylphenyl)sulfonylcarbamoyl]acetamide is Cc1ccc(S(=O)(=O)NC(=O)NC(=O)C(Cl)(Cl)Cl)cc1.
What is the InChIKey of 2,2,2-trichloro-N-[(4-methylphenyl)sulfonylcarbamoyl]acetamide?
The InChIKey is LRMLKMTZWHAJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl3N2O4S/c1-6-2-4-7(5-3-6)20(18,19)15-9(17)14-8(16)10(11,12)13/h2-5H,1H3,(H2,14,15,16,17).
What are the key properties of 2,2,2-trichloro-N-[(4-methylphenyl)sulfonylcarbamoyl]acetamide?
2,2,2-trichloro-N-[(4-methylphenyl)sulfonylcarbamoyl]acetamide has a molecular weight of 359.62 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-[(4-methylphenyl)sulfonylcarbamoyl]acetamide is sourced from PubChem (CID 3078901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).