2-(4-methylphenyl)sulfonyl-N-(2,3,4-trifluorophenyl)acetamide

C15H12F3NO3S — CID 2800907

IUPAC2-(4-methylphenyl)sulfonyl-N-(2,3,4-trifluorophenyl)acetamide
SMILESCc1ccc(S(=O)(=O)CC(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C15H12F3NO3S/c1-9-2-4-10(5-3-9)23(21,22)8-13(20)19-12-7-6-11(16)14(17)15(12)18/h2-7H,8H2,1H3,(H,19,20)
InChIKeyMXUYMVVWHPFLAM-UHFFFAOYSA-N
MW343.33 g/mol
LogP2.82
Rot. Bonds4

About 2-(4-methylphenyl)sulfonyl-N-(2,3,4-trifluorophenyl)acetamide

2-(4-methylphenyl)sulfonyl-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 2800907) has the molecular formula C15H12F3NO3S and a molecular weight of 343.33 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfonyl-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfonyl-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID2800907
Molecular FormulaC15H12F3NO3S
Molecular Weight343.33 g/mol
Exact Mass343.05
IUPAC Name2-(4-methylphenyl)sulfonyl-N-(2,3,4-trifluorophenyl)acetamide
SMILESCc1ccc(S(=O)(=O)CC(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C15H12F3NO3S/c1-9-2-4-10(5-3-9)23(21,22)8-13(20)19-12-7-6-11(16)14(17)15(12)18/h2-7H,8H2,1H3,(H,19,20)
InChIKeyMXUYMVVWHPFLAM-UHFFFAOYSA-N
XLogP2.82
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

CID 11257
CID 11257
CID 584914
CID 584914
CID 872566
CID 872566
CID 2897643
CID 2897643
CID 788759
CID 788759
CID 9314413
CID 9314413
CID 716755
CID 716755
CID 883059
CID 883059
CID 2899728
CID 2899728
CID 6621576
CID 6621576
CID 573187
CID 573187
CID 1271299
CID 1271299

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfonyl-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-(4-methylphenyl)sulfonyl-N-(2,3,4-trifluorophenyl)acetamide (CID 2800907) is 2-(4-methylphenyl)sulfonyl-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfonyl-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-(4-methylphenyl)sulfonyl-N-(2,3,4-trifluorophenyl)acetamide is Cc1ccc(S(=O)(=O)CC(=O)Nc2ccc(F)c(F)c2F)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfonyl-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is MXUYMVVWHPFLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO3S/c1-9-2-4-10(5-3-9)23(21,22)8-13(20)19-12-7-6-11(16)14(17)15(12)18/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of 2-(4-methylphenyl)sulfonyl-N-(2,3,4-trifluorophenyl)acetamide?
2-(4-methylphenyl)sulfonyl-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 343.33 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfonyl-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 2800907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).