N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide

C18H21FN2O4S — CID 75536683

IUPACN-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@H]1OC[C@@H](NCc2ccc(F)cc2)[C@@H]1O)c1ccccc1
InChIInChI=1S/C18H21FN2O4S/c19-14-8-6-13(7-9-14)10-20-16-12-25-17(18(16)22)11-21-26(23,24)15-4-2-1-3-5-15/h1-9,16-18,20-22H,10-12H2/t16-,17-,18+/m1/s1
InChIKeyWTURDBVCLNVJAB-KURKYZTESA-N
MW380.44 g/mol
LogP1.02
Rot. Bonds7

About N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide

N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide (PubChem CID 75536683) has the molecular formula C18H21FN2O4S and a molecular weight of 380.44 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide
PubChem CID75536683
Molecular FormulaC18H21FN2O4S
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC NameN-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@H]1OC[C@@H](NCc2ccc(F)cc2)[C@@H]1O)c1ccccc1
InChIInChI=1S/C18H21FN2O4S/c19-14-8-6-13(7-9-14)10-20-16-12-25-17(18(16)22)11-21-26(23,24)15-4-2-1-3-5-15/h1-9,16-18,20-22H,10-12H2/t16-,17-,18+/m1/s1
InChIKeyWTURDBVCLNVJAB-KURKYZTESA-N
XLogP1.02
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide?
The IUPAC name of N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide (CID 75536683) is N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide is O=S(=O)(NC[C@H]1OC[C@@H](NCc2ccc(F)cc2)[C@@H]1O)c1ccccc1.
What is the InChIKey of N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide?
The InChIKey is WTURDBVCLNVJAB-KURKYZTESA-N. The full InChI is InChI=1S/C18H21FN2O4S/c19-14-8-6-13(7-9-14)10-20-16-12-25-17(18(16)22)11-21-26(23,24)15-4-2-1-3-5-15/h1-9,16-18,20-22H,10-12H2/t16-,17-,18+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide?
N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide has a molecular weight of 380.44 g/mol, XLogP of 1.02, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 75536683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).