N-[(3S,4R)-4-(4-thiophen-2-ylphenyl)oxolan-3-yl]propane-2-sulfonamide

C17H21NO3S2 — CID 52946383

IUPACN-[(3S,4R)-4-(4-thiophen-2-ylphenyl)oxolan-3-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@@H]1COC[C@@H]1c1ccc(-c2cccs2)cc1
InChIInChI=1S/C17H21NO3S2/c1-12(2)23(19,20)18-16-11-21-10-15(16)13-5-7-14(8-6-13)17-4-3-9-22-17/h3-9,12,15-16,18H,10-11H2,1-2H3/t15-,16-/m1/s1
InChIKeyYOZUMMLBLHMQSX-HZPDHXFCSA-N
MW351.49 g/mol
LogP3.23
Rot. Bonds5

About N-[(3S,4R)-4-(4-thiophen-2-ylphenyl)oxolan-3-yl]propane-2-sulfonamide

N-[(3S,4R)-4-(4-thiophen-2-ylphenyl)oxolan-3-yl]propane-2-sulfonamide (PubChem CID 52946383) has the molecular formula C17H21NO3S2 and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[(3S,4R)-4-(4-thiophen-2-ylphenyl)oxolan-3-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-(4-thiophen-2-ylphenyl)oxolan-3-yl]propane-2-sulfonamide
PubChem CID52946383
Molecular FormulaC17H21NO3S2
Molecular Weight351.49 g/mol
Exact Mass351.10
IUPAC NameN-[(3S,4R)-4-(4-thiophen-2-ylphenyl)oxolan-3-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@@H]1COC[C@@H]1c1ccc(-c2cccs2)cc1
InChIInChI=1S/C17H21NO3S2/c1-12(2)23(19,20)18-16-11-21-10-15(16)13-5-7-14(8-6-13)17-4-3-9-22-17/h3-9,12,15-16,18H,10-11H2,1-2H3/t15-,16-/m1/s1
InChIKeyYOZUMMLBLHMQSX-HZPDHXFCSA-N
XLogP3.23
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.23
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-thiophen-2-ylphenyl)oxolan-3-yl]propane-2-sulfonamide?
The IUPAC name of N-[(3S,4R)-4-(4-thiophen-2-ylphenyl)oxolan-3-yl]propane-2-sulfonamide (CID 52946383) is N-[(3S,4R)-4-(4-thiophen-2-ylphenyl)oxolan-3-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[(3S,4R)-4-(4-thiophen-2-ylphenyl)oxolan-3-yl]propane-2-sulfonamide?
The canonical SMILES for N-[(3S,4R)-4-(4-thiophen-2-ylphenyl)oxolan-3-yl]propane-2-sulfonamide is CC(C)S(=O)(=O)N[C@@H]1COC[C@@H]1c1ccc(-c2cccs2)cc1.
What is the InChIKey of N-[(3S,4R)-4-(4-thiophen-2-ylphenyl)oxolan-3-yl]propane-2-sulfonamide?
The InChIKey is YOZUMMLBLHMQSX-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H21NO3S2/c1-12(2)23(19,20)18-16-11-21-10-15(16)13-5-7-14(8-6-13)17-4-3-9-22-17/h3-9,12,15-16,18H,10-11H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of N-[(3S,4R)-4-(4-thiophen-2-ylphenyl)oxolan-3-yl]propane-2-sulfonamide?
N-[(3S,4R)-4-(4-thiophen-2-ylphenyl)oxolan-3-yl]propane-2-sulfonamide has a molecular weight of 351.49 g/mol, XLogP of 3.23, 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-thiophen-2-ylphenyl)oxolan-3-yl]propane-2-sulfonamide is sourced from PubChem (CID 52946383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).