N-[(3R,4R)-4-[4-(4-fluorophenyl)phenyl]oxan-3-yl]propane-2-sulfonamide

C20H24FNO3S — CID 68550671

IUPACN-[(3R,4R)-4-[4-(4-fluorophenyl)phenyl]oxan-3-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@H]1COCC[C@@H]1c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C20H24FNO3S/c1-14(2)26(23,24)22-20-13-25-12-11-19(20)17-5-3-15(4-6-17)16-7-9-18(21)10-8-16/h3-10,14,19-20,22H,11-13H2,1-2H3/t19-,20+/m1/s1
InChIKeyHDFQQTFNJSGKLY-UXHICEINSA-N
MW377.48 g/mol
LogP3.69
Rot. Bonds5

About N-[(3R,4R)-4-[4-(4-fluorophenyl)phenyl]oxan-3-yl]propane-2-sulfonamide

N-[(3R,4R)-4-[4-(4-fluorophenyl)phenyl]oxan-3-yl]propane-2-sulfonamide (PubChem CID 68550671) has the molecular formula C20H24FNO3S and a molecular weight of 377.48 g/mol. Its IUPAC name is N-[(3R,4R)-4-[4-(4-fluorophenyl)phenyl]oxan-3-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-[4-(4-fluorophenyl)phenyl]oxan-3-yl]propane-2-sulfonamide
PubChem CID68550671
Molecular FormulaC20H24FNO3S
Molecular Weight377.48 g/mol
Exact Mass377.15
IUPAC NameN-[(3R,4R)-4-[4-(4-fluorophenyl)phenyl]oxan-3-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@H]1COCC[C@@H]1c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C20H24FNO3S/c1-14(2)26(23,24)22-20-13-25-12-11-19(20)17-5-3-15(4-6-17)16-7-9-18(21)10-8-16/h3-10,14,19-20,22H,11-13H2,1-2H3/t19-,20+/m1/s1
InChIKeyHDFQQTFNJSGKLY-UXHICEINSA-N
XLogP3.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3R,4R)-4-[4-(4-fluorophenyl)phenyl]oxan-3-yl]propane-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-[4-(4-fluorophenyl)phenyl]oxan-3-yl]propane-2-sulfonamide?
The IUPAC name of N-[(3R,4R)-4-[4-(4-fluorophenyl)phenyl]oxan-3-yl]propane-2-sulfonamide (CID 68550671) is N-[(3R,4R)-4-[4-(4-fluorophenyl)phenyl]oxan-3-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[(3R,4R)-4-[4-(4-fluorophenyl)phenyl]oxan-3-yl]propane-2-sulfonamide?
The canonical SMILES for N-[(3R,4R)-4-[4-(4-fluorophenyl)phenyl]oxan-3-yl]propane-2-sulfonamide is CC(C)S(=O)(=O)N[C@H]1COCC[C@@H]1c1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of N-[(3R,4R)-4-[4-(4-fluorophenyl)phenyl]oxan-3-yl]propane-2-sulfonamide?
The InChIKey is HDFQQTFNJSGKLY-UXHICEINSA-N. The full InChI is InChI=1S/C20H24FNO3S/c1-14(2)26(23,24)22-20-13-25-12-11-19(20)17-5-3-15(4-6-17)16-7-9-18(21)10-8-16/h3-10,14,19-20,22H,11-13H2,1-2H3/t19-,20+/m1/s1.
What are the key properties of N-[(3R,4R)-4-[4-(4-fluorophenyl)phenyl]oxan-3-yl]propane-2-sulfonamide?
N-[(3R,4R)-4-[4-(4-fluorophenyl)phenyl]oxan-3-yl]propane-2-sulfonamide has a molecular weight of 377.48 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-[4-(4-fluorophenyl)phenyl]oxan-3-yl]propane-2-sulfonamide is sourced from PubChem (CID 68550671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).