2-[(2,4-dimethylphenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide

C16H17FN2O3S — CID 113000466

IUPAC2-[(2,4-dimethylphenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(F)c2)c(C)c1
InChIInChI=1S/C16H17FN2O3S/c1-11-6-7-15(12(2)8-11)23(21,22)18-10-16(20)19-14-5-3-4-13(17)9-14/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyMUMOZIYMBYAJEU-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.36
Rot. Bonds5

About 2-[(2,4-dimethylphenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide

2-[(2,4-dimethylphenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide (PubChem CID 113000466) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-[(2,4-dimethylphenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(2,4-dimethylphenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
PubChem CID113000466
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC Name2-[(2,4-dimethylphenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(F)c2)c(C)c1
InChIInChI=1S/C16H17FN2O3S/c1-11-6-7-15(12(2)8-11)23(21,22)18-10-16(20)19-14-5-3-4-13(17)9-14/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyMUMOZIYMBYAJEU-UHFFFAOYSA-N
XLogP2.36
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-fluoroanilino)-2-oxoethyl] 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate
CID 7976982
N-(3-fluorophenyl)-2-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]acetamide
CID 113000475
2-[(2-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
CID 9412386
2-(benzenesulfonamido)-N-(3-fluorophenyl)acetamide
CID 891841
2-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 112996080
N-[4-(dimethylamino)phenyl]-2-[(2,4-dimethylphenyl)sulfonylamino]acetamide
CID 110407276
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 8730879
2-[(2,4-dimethylphenyl)sulfonylamino]-N-(4-ethoxyphenyl)acetamide
CID 112998873
3-[(2,4-dimethylphenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide
CID 51162258
N-(3-methylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 772299
2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]-N-(3-fluorophenyl)acetamide
CID 9412305
2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(3-fluorophenyl)acetamide
CID 113000478

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylphenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[(2,4-dimethylphenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide (CID 113000466) is 2-[(2,4-dimethylphenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(2,4-dimethylphenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[(2,4-dimethylphenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide is Cc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(F)c2)c(C)c1.
What is the InChIKey of 2-[(2,4-dimethylphenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide?
The InChIKey is MUMOZIYMBYAJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c1-11-6-7-15(12(2)8-11)23(21,22)18-10-16(20)19-14-5-3-4-13(17)9-14/h3-9,18H,10H2,1-2H3,(H,19,20).
What are the key properties of 2-[(2,4-dimethylphenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide?
2-[(2,4-dimethylphenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide has a molecular weight of 336.39 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylphenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 113000466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).