2-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-cyclohexyl-N-methylacetamide

C16H21ClFNO3S — CID 78852410

IUPAC2-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)CS(=O)(=O)Cc1c(F)cccc1Cl)C1CCCCC1
InChIInChI=1S/C16H21ClFNO3S/c1-19(12-6-3-2-4-7-12)16(20)11-23(21,22)10-13-14(17)8-5-9-15(13)18/h5,8-9,12H,2-4,6-7,10-11H2,1H3
InChIKeyRVRSUARUTRPWQZ-UHFFFAOYSA-N
MW361.87 g/mol
LogP3.18
Rot. Bonds5

About 2-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-cyclohexyl-N-methylacetamide

2-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-cyclohexyl-N-methylacetamide (PubChem CID 78852410) has the molecular formula C16H21ClFNO3S and a molecular weight of 361.87 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-cyclohexyl-N-methylacetamide
PubChem CID78852410
Molecular FormulaC16H21ClFNO3S
Molecular Weight361.87 g/mol
Exact Mass361.09
IUPAC Name2-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)CS(=O)(=O)Cc1c(F)cccc1Cl)C1CCCCC1
InChIInChI=1S/C16H21ClFNO3S/c1-19(12-6-3-2-4-7-12)16(20)11-23(21,22)10-13-14(17)8-5-9-15(13)18/h5,8-9,12H,2-4,6-7,10-11H2,1H3
InChIKeyRVRSUARUTRPWQZ-UHFFFAOYSA-N
XLogP3.18
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methylsulfonyl]-N-cyclohexyl-N-methylacetamide
CID 78852588
N-cyclohexyl-N-methyl-2-[(3-methylphenyl)methylsulfonyl]acetamide
CID 78852248
N-(azepan-4-yl)-2-(2-chloro-6-fluorophenyl)-N-methylacetamide
CID 104974489
2-(2-chloro-6-fluorophenyl)-N-methyl-N-piperidin-4-ylacetamide
CID 43602048
2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide
CID 39076157
2-(2-chlorophenyl)-N-cyclopentyl-N-methylacetamide
CID 166712612
2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119682870
N-cyclopentyl-N-[(2,6-difluorophenyl)methyl]-2-(methylsulfamoyl)acetamide
CID 71975187
1-[[1-[(2-chloro-6-fluorophenyl)methylsulfonyl]piperidin-4-yl]methyl]azepane
CID 50848099
N-[(2-chloro-6-fluorophenyl)methyl]-3-(cyclohexylcarbamoylamino)-N-methylpropanamide
CID 18152189
2-(2-chloro-N-methylsulfonylanilino)-N-cyclopentyl-N-methylacetamide
CID 28575178
4-[(2-chloro-6-fluorophenyl)methyl-methylamino]cyclohexan-1-one
CID 79119937

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-cyclohexyl-N-methylacetamide?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-cyclohexyl-N-methylacetamide (CID 78852410) is 2-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-cyclohexyl-N-methylacetamide.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-cyclohexyl-N-methylacetamide?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-cyclohexyl-N-methylacetamide is CN(C(=O)CS(=O)(=O)Cc1c(F)cccc1Cl)C1CCCCC1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-cyclohexyl-N-methylacetamide?
The InChIKey is RVRSUARUTRPWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClFNO3S/c1-19(12-6-3-2-4-7-12)16(20)11-23(21,22)10-13-14(17)8-5-9-15(13)18/h5,8-9,12H,2-4,6-7,10-11H2,1H3.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-cyclohexyl-N-methylacetamide?
2-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-cyclohexyl-N-methylacetamide has a molecular weight of 361.87 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 78852410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).