N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-[(2R)-oxolan-2-yl]ethanesulfonamide

C17H24FNO3S — CID 129424141

IUPACN-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-[(2R)-oxolan-2-yl]ethanesulfonamide
SMILESCN([C@@H](c1ccc(F)cc1)C1CC1)S(=O)(=O)CC[C@H]1CCCO1
InChIInChI=1S/C17H24FNO3S/c1-19(23(20,21)12-10-16-3-2-11-22-16)17(13-4-5-13)14-6-8-15(18)9-7-14/h6-9,13,16-17H,2-5,10-12H2,1H3/t16-,17-/m1/s1
InChIKeySZVDDNDHTKZCIY-IAGOWNOFSA-N
MW341.45 g/mol
LogP3.11
Rot. Bonds7

About N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-[(2R)-oxolan-2-yl]ethanesulfonamide

N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-[(2R)-oxolan-2-yl]ethanesulfonamide (PubChem CID 129424141) has the molecular formula C17H24FNO3S and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-[(2R)-oxolan-2-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-[(2R)-oxolan-2-yl]ethanesulfonamide
PubChem CID129424141
Molecular FormulaC17H24FNO3S
Molecular Weight341.45 g/mol
Exact Mass341.15
IUPAC NameN-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-[(2R)-oxolan-2-yl]ethanesulfonamide
SMILESCN([C@@H](c1ccc(F)cc1)C1CC1)S(=O)(=O)CC[C@H]1CCCO1
InChIInChI=1S/C17H24FNO3S/c1-19(23(20,21)12-10-16-3-2-11-22-16)17(13-4-5-13)14-6-8-15(18)9-7-14/h6-9,13,16-17H,2-5,10-12H2,1H3/t16-,17-/m1/s1
InChIKeySZVDDNDHTKZCIY-IAGOWNOFSA-N
XLogP3.11
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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US20250115569, Example 56
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CID 169931829
[(2S,4S)-4-[bis(prop-2-enyl)amino]-4-(3-fluorophenyl)butan-2-yl] methanesulfonate
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N-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-methoxypropane-2-sulfonamide
CID 56792264
N-[cyclopropyl-(2,5-difluorophenyl)methyl]-2-(oxolan-2-yl)ethanesulfonamide
CID 71851161
3-(2-Fluorophenyl)-1-(2-propan-2-yloxyethylsulfonyl)pyrrolidine
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N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methoxyethanesulfonamide
CID 72148695
8-fluoro-1-methyl-2-(2-methyloxolan-3-yl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 91662086
N-[(1S)-1-(2-fluorophenyl)ethyl]-N-methyl-1-(oxan-4-yl)methanesulfonamide
CID 99817123

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-[(2R)-oxolan-2-yl]ethanesulfonamide?
The IUPAC name of N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-[(2R)-oxolan-2-yl]ethanesulfonamide (CID 129424141) is N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-[(2R)-oxolan-2-yl]ethanesulfonamide.
What is the SMILES notation for N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-[(2R)-oxolan-2-yl]ethanesulfonamide?
The canonical SMILES for N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-[(2R)-oxolan-2-yl]ethanesulfonamide is CN([C@@H](c1ccc(F)cc1)C1CC1)S(=O)(=O)CC[C@H]1CCCO1.
What is the InChIKey of N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-[(2R)-oxolan-2-yl]ethanesulfonamide?
The InChIKey is SZVDDNDHTKZCIY-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H24FNO3S/c1-19(23(20,21)12-10-16-3-2-11-22-16)17(13-4-5-13)14-6-8-15(18)9-7-14/h6-9,13,16-17H,2-5,10-12H2,1H3/t16-,17-/m1/s1.
What are the key properties of N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-[(2R)-oxolan-2-yl]ethanesulfonamide?
N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-[(2R)-oxolan-2-yl]ethanesulfonamide has a molecular weight of 341.45 g/mol, XLogP of 3.11, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-[(2R)-oxolan-2-yl]ethanesulfonamide is sourced from PubChem (CID 129424141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).