N-[(3S,4R)-4-[4-(5-fluoro-2-pyridinyl)phenyl]oxolan-3-yl]propane-2-sulfonamide

C18H21FN2O3S — CID 52948827

IUPACN-[(3S,4R)-4-[4-(5-fluoro-2-pyridinyl)phenyl]oxolan-3-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@@H]1COC[C@@H]1c1ccc(-c2ccc(F)cn2)cc1
InChIInChI=1S/C18H21FN2O3S/c1-12(2)25(22,23)21-18-11-24-10-16(18)13-3-5-14(6-4-13)17-8-7-15(19)9-20-17/h3-9,12,16,18,21H,10-11H2,1-2H3/t16-,18-/m1/s1
InChIKeyNNHDXXVNXHKIOJ-SJLPKXTDSA-N
MW364.44 g/mol
LogP2.70
Rot. Bonds5

About N-[(3S,4R)-4-[4-(5-fluoro-2-pyridinyl)phenyl]oxolan-3-yl]propane-2-sulfonamide

N-[(3S,4R)-4-[4-(5-fluoro-2-pyridinyl)phenyl]oxolan-3-yl]propane-2-sulfonamide (PubChem CID 52948827) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is N-[(3S,4R)-4-[4-(5-fluoro-2-pyridinyl)phenyl]oxolan-3-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-[4-(5-fluoro-2-pyridinyl)phenyl]oxolan-3-yl]propane-2-sulfonamide
PubChem CID52948827
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC NameN-[(3S,4R)-4-[4-(5-fluoro-2-pyridinyl)phenyl]oxolan-3-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@@H]1COC[C@@H]1c1ccc(-c2ccc(F)cn2)cc1
InChIInChI=1S/C18H21FN2O3S/c1-12(2)25(22,23)21-18-11-24-10-16(18)13-3-5-14(6-4-13)17-8-7-15(19)9-20-17/h3-9,12,16,18,21H,10-11H2,1-2H3/t16-,18-/m1/s1
InChIKeyNNHDXXVNXHKIOJ-SJLPKXTDSA-N
XLogP2.70
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-[4-(5-fluoro-2-pyridinyl)phenyl]oxolan-3-yl]propane-2-sulfonamide?
The IUPAC name of N-[(3S,4R)-4-[4-(5-fluoro-2-pyridinyl)phenyl]oxolan-3-yl]propane-2-sulfonamide (CID 52948827) is N-[(3S,4R)-4-[4-(5-fluoro-2-pyridinyl)phenyl]oxolan-3-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[(3S,4R)-4-[4-(5-fluoro-2-pyridinyl)phenyl]oxolan-3-yl]propane-2-sulfonamide?
The canonical SMILES for N-[(3S,4R)-4-[4-(5-fluoro-2-pyridinyl)phenyl]oxolan-3-yl]propane-2-sulfonamide is CC(C)S(=O)(=O)N[C@@H]1COC[C@@H]1c1ccc(-c2ccc(F)cn2)cc1.
What is the InChIKey of N-[(3S,4R)-4-[4-(5-fluoro-2-pyridinyl)phenyl]oxolan-3-yl]propane-2-sulfonamide?
The InChIKey is NNHDXXVNXHKIOJ-SJLPKXTDSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-12(2)25(22,23)21-18-11-24-10-16(18)13-3-5-14(6-4-13)17-8-7-15(19)9-20-17/h3-9,12,16,18,21H,10-11H2,1-2H3/t16-,18-/m1/s1.
What are the key properties of N-[(3S,4R)-4-[4-(5-fluoro-2-pyridinyl)phenyl]oxolan-3-yl]propane-2-sulfonamide?
N-[(3S,4R)-4-[4-(5-fluoro-2-pyridinyl)phenyl]oxolan-3-yl]propane-2-sulfonamide has a molecular weight of 364.44 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-[4-(5-fluoro-2-pyridinyl)phenyl]oxolan-3-yl]propane-2-sulfonamide is sourced from PubChem (CID 52948827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).