2-fluoro-N-[2-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]benzenesulfonamide

C16H21FN2O5S2 — CID 90590908

IUPAC2-fluoro-N-[2-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]benzenesulfonamide
SMILESCS(=O)(=O)C1CC2CCC(C1)N2C(=O)CNS(=O)(=O)c1ccccc1F
InChIInChI=1S/C16H21FN2O5S2/c1-25(21,22)13-8-11-6-7-12(9-13)19(11)16(20)10-18-26(23,24)15-5-3-2-4-14(15)17/h2-5,11-13,18H,6-10H2,1H3
InChIKeyGTHQRXBTBYMOPA-UHFFFAOYSA-N
MW404.49 g/mol
LogP0.67
Rot. Bonds5

About 2-fluoro-N-[2-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]benzenesulfonamide

2-fluoro-N-[2-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]benzenesulfonamide (PubChem CID 90590908) has the molecular formula C16H21FN2O5S2 and a molecular weight of 404.49 g/mol. Its IUPAC name is 2-fluoro-N-[2-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]benzenesulfonamide
PubChem CID90590908
Molecular FormulaC16H21FN2O5S2
Molecular Weight404.49 g/mol
Exact Mass404.09
IUPAC Name2-fluoro-N-[2-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]benzenesulfonamide
SMILESCS(=O)(=O)C1CC2CCC(C1)N2C(=O)CNS(=O)(=O)c1ccccc1F
InChIInChI=1S/C16H21FN2O5S2/c1-25(21,22)13-8-11-6-7-12(9-13)19(11)16(20)10-18-26(23,24)15-5-3-2-4-14(15)17/h2-5,11-13,18H,6-10H2,1H3
InChIKeyGTHQRXBTBYMOPA-UHFFFAOYSA-N
XLogP0.67
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-fluoro-N-[2-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]benzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

2-fluoro-N-[3-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropyl]benzenesulfonamide
CID 90590909
2,3,5,6-tetramethyl-N-[2-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]benzenesulfonamide
CID 90590905
(2,6-difluorophenyl)-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 90591045
(2,6-difluorophenyl)-[(1S,5R)-3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 129373883
1-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)-3-phenylpropan-1-one
CID 90590801
2-fluoro-N-[2-(5-methyl-1,4-oxazepan-4-yl)-2-oxoethyl]benzenesulfonamide
CID 136543557
2,6-difluoro-N-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 90586387
2-(1-methylindol-3-yl)-1-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 90591018
2,6-difluoro-N-[2-(3-methylsulfonylpyrrolidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 90586879
3-(2-bromophenyl)-1-[(1S,5R)-3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl]propan-1-one
CID 129373865
N-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-2-fluorobenzenesulfonamide
CID 167988550
N-[2-[4-[(3,4-dimethylphenyl)methyl]piperidin-1-yl]-2-oxoethyl]-2-fluorobenzenesulfonamide
CID 146098829

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[2-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]benzenesulfonamide (CID 90590908) is 2-fluoro-N-[2-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[2-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[2-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]benzenesulfonamide is CS(=O)(=O)C1CC2CCC(C1)N2C(=O)CNS(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]benzenesulfonamide?
The InChIKey is GTHQRXBTBYMOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O5S2/c1-25(21,22)13-8-11-6-7-12(9-13)19(11)16(20)10-18-26(23,24)15-5-3-2-4-14(15)17/h2-5,11-13,18H,6-10H2,1H3.
What are the key properties of 2-fluoro-N-[2-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]benzenesulfonamide?
2-fluoro-N-[2-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]benzenesulfonamide has a molecular weight of 404.49 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 90590908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).