2-[(2-chlorophenyl)sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide

C17H18ClFN2O3S — CID 7937663

IUPAC2-[(2-chlorophenyl)sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C17H18ClFN2O3S/c1-2-21(25(23,24)16-6-4-3-5-15(16)18)12-17(22)20-11-13-7-9-14(19)10-8-13/h3-10H,2,11-12H2,1H3,(H,20,22)
InChIKeyPCMOMXZEUMPZTA-UHFFFAOYSA-N
MW384.86 g/mol
LogP2.81
Rot. Bonds7

About 2-[(2-chlorophenyl)sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide

2-[(2-chlorophenyl)sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 7937663) has the molecular formula C17H18ClFN2O3S and a molecular weight of 384.86 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID7937663
Molecular FormulaC17H18ClFN2O3S
Molecular Weight384.86 g/mol
Exact Mass384.07
IUPAC Name2-[(2-chlorophenyl)sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C17H18ClFN2O3S/c1-2-21(25(23,24)16-6-4-3-5-15(16)18)12-17(22)20-11-13-7-9-14(19)10-8-13/h3-10H,2,11-12H2,1H3,(H,20,22)
InChIKeyPCMOMXZEUMPZTA-UHFFFAOYSA-N
XLogP2.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 2548931
2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 28545720
2-[ethyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 7937660
2-[(4-bromo-2-chlorophenyl)sulfonyl-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide
CID 30328734
2-[2-(4-chlorophenyl)ethenylsulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 78665232
2-(2-chlorophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 26266085
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 4816152
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 4181243
2-[benzenesulfonyl(ethyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 45372008
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 45372487
N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide
CID 31747284
N-benzyl-2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]acetamide
CID 126012482

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[(2-chlorophenyl)sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide (CID 7937663) is 2-[(2-chlorophenyl)sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide is CCN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is PCMOMXZEUMPZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O3S/c1-2-21(25(23,24)16-6-4-3-5-15(16)18)12-17(22)20-11-13-7-9-14(19)10-8-13/h3-10H,2,11-12H2,1H3,(H,20,22).
What are the key properties of 2-[(2-chlorophenyl)sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide?
2-[(2-chlorophenyl)sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 384.86 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 7937663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).