1-(2-fluorophenyl)-N-[[(3R)-oxolan-3-yl]methyl]-N-propylmethanesulfonamide

C15H22FNO3S — CID 99767674

IUPAC1-(2-fluorophenyl)-N-[[(3R)-oxolan-3-yl]methyl]-N-propylmethanesulfonamide
SMILESCCCN(C[C@H]1CCOC1)S(=O)(=O)Cc1ccccc1F
InChIInChI=1S/C15H22FNO3S/c1-2-8-17(10-13-7-9-20-11-13)21(18,19)12-14-5-3-4-6-15(14)16/h3-6,13H,2,7-12H2,1H3/t13-/m1/s1
InChIKeyPFNGTHGTGPOTFS-CYBMUJFWSA-N
MW315.41 g/mol
LogP2.40
Rot. Bonds7

About 1-(2-fluorophenyl)-N-[[(3R)-oxolan-3-yl]methyl]-N-propylmethanesulfonamide

1-(2-fluorophenyl)-N-[[(3R)-oxolan-3-yl]methyl]-N-propylmethanesulfonamide (PubChem CID 99767674) has the molecular formula C15H22FNO3S and a molecular weight of 315.41 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[[(3R)-oxolan-3-yl]methyl]-N-propylmethanesulfonamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[[(3R)-oxolan-3-yl]methyl]-N-propylmethanesulfonamide
PubChem CID99767674
Molecular FormulaC15H22FNO3S
Molecular Weight315.41 g/mol
Exact Mass315.13
IUPAC Name1-(2-fluorophenyl)-N-[[(3R)-oxolan-3-yl]methyl]-N-propylmethanesulfonamide
SMILESCCCN(C[C@H]1CCOC1)S(=O)(=O)Cc1ccccc1F
InChIInChI=1S/C15H22FNO3S/c1-2-8-17(10-13-7-9-20-11-13)21(18,19)12-14-5-3-4-6-15(14)16/h3-6,13H,2,7-12H2,1H3/t13-/m1/s1
InChIKeyPFNGTHGTGPOTFS-CYBMUJFWSA-N
XLogP2.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-N-(oxolan-3-ylmethyl)-N-propylmethanesulfonamide
CID 91915414
3,4-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
CID 91905715
4-ethyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
CID 91905703
3,4-dimethyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
CID 91915434
1-(5-chloro-2-methoxyphenyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]methanesulfonamide
CID 95142044
5-fluoro-2-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
CID 91915442
2-ethyl-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 91915494
N-(cyclopropylmethyl)-2,6-difluoro-N-propylbenzenesulfonamide
CID 78787052
5-chloro-2-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
CID 91905709
3-amino-N-ethyl-2,4-difluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 107343328
N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]naphthalene-1-sulfonamide
CID 95974974
2-[(2-fluorophenyl)methyl-[[(3R)-oxan-3-yl]methyl]amino]ethanol
CID 124753968

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[[(3R)-oxolan-3-yl]methyl]-N-propylmethanesulfonamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[[(3R)-oxolan-3-yl]methyl]-N-propylmethanesulfonamide (CID 99767674) is 1-(2-fluorophenyl)-N-[[(3R)-oxolan-3-yl]methyl]-N-propylmethanesulfonamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[[(3R)-oxolan-3-yl]methyl]-N-propylmethanesulfonamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[[(3R)-oxolan-3-yl]methyl]-N-propylmethanesulfonamide is CCCN(C[C@H]1CCOC1)S(=O)(=O)Cc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-[[(3R)-oxolan-3-yl]methyl]-N-propylmethanesulfonamide?
The InChIKey is PFNGTHGTGPOTFS-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22FNO3S/c1-2-8-17(10-13-7-9-20-11-13)21(18,19)12-14-5-3-4-6-15(14)16/h3-6,13H,2,7-12H2,1H3/t13-/m1/s1.
What are the key properties of 1-(2-fluorophenyl)-N-[[(3R)-oxolan-3-yl]methyl]-N-propylmethanesulfonamide?
1-(2-fluorophenyl)-N-[[(3R)-oxolan-3-yl]methyl]-N-propylmethanesulfonamide has a molecular weight of 315.41 g/mol, XLogP of 2.40, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[[(3R)-oxolan-3-yl]methyl]-N-propylmethanesulfonamide is sourced from PubChem (CID 99767674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).