2-[(2-bromo-4-fluorophenyl)sulfonyl-(2-cyclohexylethyl)amino]acetamide

C16H22BrFN2O3S — CID 86879612

IUPAC2-[(2-bromo-4-fluorophenyl)sulfonyl-(2-cyclohexylethyl)amino]acetamide
SMILESNC(=O)CN(CCC1CCCCC1)S(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C16H22BrFN2O3S/c17-14-10-13(18)6-7-15(14)24(22,23)20(11-16(19)21)9-8-12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9,11H2,(H2,19,21)
InChIKeyBWHMBWRDLOFICU-UHFFFAOYSA-N
MW421.33 g/mol
LogP3.03
Rot. Bonds7

About 2-[(2-bromo-4-fluorophenyl)sulfonyl-(2-cyclohexylethyl)amino]acetamide

2-[(2-bromo-4-fluorophenyl)sulfonyl-(2-cyclohexylethyl)amino]acetamide (PubChem CID 86879612) has the molecular formula C16H22BrFN2O3S and a molecular weight of 421.33 g/mol. Its IUPAC name is 2-[(2-bromo-4-fluorophenyl)sulfonyl-(2-cyclohexylethyl)amino]acetamide.

Molecular Properties

Compound Name2-[(2-bromo-4-fluorophenyl)sulfonyl-(2-cyclohexylethyl)amino]acetamide
PubChem CID86879612
Molecular FormulaC16H22BrFN2O3S
Molecular Weight421.33 g/mol
Exact Mass420.05
IUPAC Name2-[(2-bromo-4-fluorophenyl)sulfonyl-(2-cyclohexylethyl)amino]acetamide
SMILESNC(=O)CN(CCC1CCCCC1)S(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C16H22BrFN2O3S/c17-14-10-13(18)6-7-15(14)24(22,23)20(11-16(19)21)9-8-12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9,11H2,(H2,19,21)
InChIKeyBWHMBWRDLOFICU-UHFFFAOYSA-N
XLogP3.03
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromothiophen-2-yl)sulfonyl-(2-cyclohexylethyl)amino]acetamide
CID 86879616
2-[(2-bromo-4-fluorophenyl)sulfonyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 103862497
2-bromo-N-cyclohexyl-N-cyclopropyl-4-fluorobenzenesulfonamide
CID 55906746
2-bromo-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzenesulfonamide
CID 62854427
2-[butyl-(2,4-dibromophenyl)sulfonylamino]acetamide
CID 47318380
4-[(2-amino-2-oxoethyl)-propylsulfamoyl]-3-bromobenzoic acid
CID 136544396
2-[(2-amino-5-fluorophenyl)sulfonyl-butylamino]acetamide
CID 61105509
2-[butyl-(5-fluoro-2-methylphenyl)sulfonylamino]acetamide
CID 47064825
methyl 2-[(2-bromo-4-fluorophenyl)sulfonyl-ethylamino]acetate
CID 61384576
2-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzenesulfonamide
CID 115755345
2-[(2-amino-5-fluorophenyl)sulfonyl-(2-amino-2-oxoethyl)amino]acetamide
CID 62921884
2-bromo-N-[2-(dimethylamino)ethyl]-4-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 61059512

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-fluorophenyl)sulfonyl-(2-cyclohexylethyl)amino]acetamide?
The IUPAC name of 2-[(2-bromo-4-fluorophenyl)sulfonyl-(2-cyclohexylethyl)amino]acetamide (CID 86879612) is 2-[(2-bromo-4-fluorophenyl)sulfonyl-(2-cyclohexylethyl)amino]acetamide.
What is the SMILES notation for 2-[(2-bromo-4-fluorophenyl)sulfonyl-(2-cyclohexylethyl)amino]acetamide?
The canonical SMILES for 2-[(2-bromo-4-fluorophenyl)sulfonyl-(2-cyclohexylethyl)amino]acetamide is NC(=O)CN(CCC1CCCCC1)S(=O)(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-[(2-bromo-4-fluorophenyl)sulfonyl-(2-cyclohexylethyl)amino]acetamide?
The InChIKey is BWHMBWRDLOFICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrFN2O3S/c17-14-10-13(18)6-7-15(14)24(22,23)20(11-16(19)21)9-8-12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9,11H2,(H2,19,21).
What are the key properties of 2-[(2-bromo-4-fluorophenyl)sulfonyl-(2-cyclohexylethyl)amino]acetamide?
2-[(2-bromo-4-fluorophenyl)sulfonyl-(2-cyclohexylethyl)amino]acetamide has a molecular weight of 421.33 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-fluorophenyl)sulfonyl-(2-cyclohexylethyl)amino]acetamide is sourced from PubChem (CID 86879612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).