2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide

C16H16ClFN2O4S — CID 45373445

IUPAC2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H16ClFN2O4S/c1-20(10-16(21)19-13-6-4-12(18)5-7-13)25(22,23)15-9-11(17)3-8-14(15)24-2/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyLQVHHYCSHUUTBI-UHFFFAOYSA-N
MW386.83 g/mol
LogP2.75
Rot. Bonds6

About 2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide

2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide (PubChem CID 45373445) has the molecular formula C16H16ClFN2O4S and a molecular weight of 386.83 g/mol. Its IUPAC name is 2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide
PubChem CID45373445
Molecular FormulaC16H16ClFN2O4S
Molecular Weight386.83 g/mol
Exact Mass386.05
IUPAC Name2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H16ClFN2O4S/c1-20(10-16(21)19-13-6-4-12(18)5-7-13)25(22,23)15-9-11(17)3-8-14(15)24-2/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyLQVHHYCSHUUTBI-UHFFFAOYSA-N
XLogP2.75
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.83
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 45373356
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(4-sulfamoylphenyl)acetamide
CID 45373358
N-(4-fluorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide
CID 30168353
N-(4-butylphenyl)-2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 45373368
N-(3-chloro-4-fluorophenyl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 1022058
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(2,4-dichlorophenyl)acetamide
CID 45373349
butyl 4-[[2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 45373374
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(5-chloro-2-methylphenyl)acetamide
CID 45373346
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(1,2-oxazol-3-yl)acetamide
CID 27260910
2-[(3-acetamido-4-methoxyphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 8797485
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(2,5-dimethylphenyl)acetamide
CID 45373328
N-(3-chloro-4-fluorophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide
CID 45374381

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide (CID 45373445) is 2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide is COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide?
The InChIKey is LQVHHYCSHUUTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O4S/c1-20(10-16(21)19-13-6-4-12(18)5-7-13)25(22,23)15-9-11(17)3-8-14(15)24-2/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of 2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide?
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide has a molecular weight of 386.83 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 45373445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).