N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)ethanesulfonamide

C14H20FNO3S — CID 71997684

IUPACN-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1cccc(F)c1)CC1CCCO1
InChIInChI=1S/C14H20FNO3S/c1-2-20(17,18)16(11-14-7-4-8-19-14)10-12-5-3-6-13(15)9-12/h3,5-6,9,14H,2,4,7-8,10-11H2,1H3
InChIKeyUNNUKBSPNFRFMC-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.16
Rot. Bonds6

About N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)ethanesulfonamide

N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)ethanesulfonamide (PubChem CID 71997684) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)ethanesulfonamide
PubChem CID71997684
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC NameN-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1cccc(F)c1)CC1CCCO1
InChIInChI=1S/C14H20FNO3S/c1-2-20(17,18)16(11-14-7-4-8-19-14)10-12-5-3-6-13(15)9-12/h3,5-6,9,14H,2,4,7-8,10-11H2,1H3
InChIKeyUNNUKBSPNFRFMC-UHFFFAOYSA-N
XLogP2.16
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)ethanesulfonamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)ethanesulfonamide (CID 71997684) is N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)ethanesulfonamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)ethanesulfonamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)ethanesulfonamide is CCS(=O)(=O)N(Cc1cccc(F)c1)CC1CCCO1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)ethanesulfonamide?
The InChIKey is UNNUKBSPNFRFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3S/c1-2-20(17,18)16(11-14-7-4-8-19-14)10-12-5-3-6-13(15)9-12/h3,5-6,9,14H,2,4,7-8,10-11H2,1H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)ethanesulfonamide?
N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)ethanesulfonamide has a molecular weight of 301.38 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 71997684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).