N-cyclopropyl-3-[(3-fluorophenyl)methyl]oxane-4-sulfonamide

C15H20FNO3S — CID 71648912

IUPACN-cyclopropyl-3-[(3-fluorophenyl)methyl]oxane-4-sulfonamide
SMILESO=S(=O)(NC1CC1)C1CCOCC1Cc1cccc(F)c1
InChIInChI=1S/C15H20FNO3S/c16-13-3-1-2-11(9-13)8-12-10-20-7-6-15(12)21(18,19)17-14-4-5-14/h1-3,9,12,14-15,17H,4-8,10H2
InChIKeyFGXDGQOQHAKKIB-UHFFFAOYSA-N
MW313.39 g/mol
LogP1.86
Rot. Bonds5

About N-cyclopropyl-3-[(3-fluorophenyl)methyl]oxane-4-sulfonamide

N-cyclopropyl-3-[(3-fluorophenyl)methyl]oxane-4-sulfonamide (PubChem CID 71648912) has the molecular formula C15H20FNO3S and a molecular weight of 313.39 g/mol. Its IUPAC name is N-cyclopropyl-3-[(3-fluorophenyl)methyl]oxane-4-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(3-fluorophenyl)methyl]oxane-4-sulfonamide
PubChem CID71648912
Molecular FormulaC15H20FNO3S
Molecular Weight313.39 g/mol
Exact Mass313.11
IUPAC NameN-cyclopropyl-3-[(3-fluorophenyl)methyl]oxane-4-sulfonamide
SMILESO=S(=O)(NC1CC1)C1CCOCC1Cc1cccc(F)c1
InChIInChI=1S/C15H20FNO3S/c16-13-3-1-2-11(9-13)8-12-10-20-7-6-15(12)21(18,19)17-14-4-5-14/h1-3,9,12,14-15,17H,4-8,10H2
InChIKeyFGXDGQOQHAKKIB-UHFFFAOYSA-N
XLogP1.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(3-fluorophenyl)methyl]oxane-4-sulfonamide?
The IUPAC name of N-cyclopropyl-3-[(3-fluorophenyl)methyl]oxane-4-sulfonamide (CID 71648912) is N-cyclopropyl-3-[(3-fluorophenyl)methyl]oxane-4-sulfonamide.
What is the SMILES notation for N-cyclopropyl-3-[(3-fluorophenyl)methyl]oxane-4-sulfonamide?
The canonical SMILES for N-cyclopropyl-3-[(3-fluorophenyl)methyl]oxane-4-sulfonamide is O=S(=O)(NC1CC1)C1CCOCC1Cc1cccc(F)c1.
What is the InChIKey of N-cyclopropyl-3-[(3-fluorophenyl)methyl]oxane-4-sulfonamide?
The InChIKey is FGXDGQOQHAKKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3S/c16-13-3-1-2-11(9-13)8-12-10-20-7-6-15(12)21(18,19)17-14-4-5-14/h1-3,9,12,14-15,17H,4-8,10H2.
What are the key properties of N-cyclopropyl-3-[(3-fluorophenyl)methyl]oxane-4-sulfonamide?
N-cyclopropyl-3-[(3-fluorophenyl)methyl]oxane-4-sulfonamide has a molecular weight of 313.39 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(3-fluorophenyl)methyl]oxane-4-sulfonamide is sourced from PubChem (CID 71648912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).