N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-2,6-difluorobenzamide

C18H18F2N2O3S — CID 16809508

IUPACN-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-2,6-difluorobenzamide
SMILESO=C(NCCS(=O)(=O)N1CCc2ccccc2C1)c1c(F)cccc1F
InChIInChI=1S/C18H18F2N2O3S/c19-15-6-3-7-16(20)17(15)18(23)21-9-11-26(24,25)22-10-8-13-4-1-2-5-14(13)12-22/h1-7H,8-12H2,(H,21,23)
InChIKeyBOWINYZRRZFLDD-UHFFFAOYSA-N
MW380.42 g/mol
LogP2.08
Rot. Bonds5

About N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-2,6-difluorobenzamide

N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-2,6-difluorobenzamide (PubChem CID 16809508) has the molecular formula C18H18F2N2O3S and a molecular weight of 380.42 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-2,6-difluorobenzamide
PubChem CID16809508
Molecular FormulaC18H18F2N2O3S
Molecular Weight380.42 g/mol
Exact Mass380.10
IUPAC NameN-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-2,6-difluorobenzamide
SMILESO=C(NCCS(=O)(=O)N1CCc2ccccc2C1)c1c(F)cccc1F
InChIInChI=1S/C18H18F2N2O3S/c19-15-6-3-7-16(20)17(15)18(23)21-9-11-26(24,25)22-10-8-13-4-1-2-5-14(13)12-22/h1-7H,8-12H2,(H,21,23)
InChIKeyBOWINYZRRZFLDD-UHFFFAOYSA-N
XLogP2.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 16809520
N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-3,5-dimethylbenzamide
CID 16809503
N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-3,4-difluorobenzamide
CID 27377352
N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-3-methoxybenzamide
CID 7601105
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 110342745
N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2,6-difluorobenzamide
CID 42590040
N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-naphthalen-1-ylacetamide
CID 27377379
N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 16809529
N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 16809519
2-(4-chlorophenoxy)-N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-2-methylpropanamide
CID 20934116
N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 16826988
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-fluorophenyl)propanamide
CID 110342779

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-2,6-difluorobenzamide?
The IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-2,6-difluorobenzamide (CID 16809508) is N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-2,6-difluorobenzamide is O=C(NCCS(=O)(=O)N1CCc2ccccc2C1)c1c(F)cccc1F.
What is the InChIKey of N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-2,6-difluorobenzamide?
The InChIKey is BOWINYZRRZFLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3S/c19-15-6-3-7-16(20)17(15)18(23)21-9-11-26(24,25)22-10-8-13-4-1-2-5-14(13)12-22/h1-7H,8-12H2,(H,21,23).
What are the key properties of N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-2,6-difluorobenzamide?
N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-2,6-difluorobenzamide has a molecular weight of 380.42 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-2,6-difluorobenzamide is sourced from PubChem (CID 16809508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).