N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]thiophene-2-sulfonamide

C15H16FNO4S2 — CID 91775771

IUPACN-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1)c1cccs1
InChIInChI=1S/C15H16FNO4S2/c16-11-3-1-4-12(9-11)21-14-6-7-20-10-13(14)17-23(18,19)15-5-2-8-22-15/h1-5,8-9,13-14,17H,6-7,10H2/t13-,14+/m1/s1
InChIKeyZWOQLJKRIKTXQI-KGLIPLIRSA-N
MW357.43 g/mol
LogP2.40
Rot. Bonds5

About N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]thiophene-2-sulfonamide

N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]thiophene-2-sulfonamide (PubChem CID 91775771) has the molecular formula C15H16FNO4S2 and a molecular weight of 357.43 g/mol. Its IUPAC name is N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]thiophene-2-sulfonamide
PubChem CID91775771
Molecular FormulaC15H16FNO4S2
Molecular Weight357.43 g/mol
Exact Mass357.05
IUPAC NameN-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1)c1cccs1
InChIInChI=1S/C15H16FNO4S2/c16-11-3-1-4-12(9-11)21-14-6-7-20-10-13(14)17-23(18,19)15-5-2-8-22-15/h1-5,8-9,13-14,17H,6-7,10H2/t13-,14+/m1/s1
InChIKeyZWOQLJKRIKTXQI-KGLIPLIRSA-N
XLogP2.40
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]butanamide
CID 91792235
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-1H-pyrrole-3-carboxamide
CID 91786162
1-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-3-propylurea
CID 91774796
2-ethoxy-N-[4-(3-fluorophenoxy)oxan-3-yl]acetamide
CID 156609137
1-ethyl-N-[(3S,4R)-3-(3-fluorophenoxy)oxan-4-yl]-5-methylpyrazole-4-sulfonamide
CID 91765175
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-3-(4-methylpiperazin-1-yl)propanamide
CID 91779153
N-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)thiophene-2-sulfonamide
CID 73133417
6-amino-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]pyridine-3-carboxamide
CID 91797334
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 91794535
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide
CID 90653248
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-4-(hydroxymethyl)pyridine-2-carboxamide
CID 90653237
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-4-morpholin-4-ylbutanamide
CID 91779628

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]thiophene-2-sulfonamide (CID 91775771) is N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]thiophene-2-sulfonamide is O=S(=O)(N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1)c1cccs1.
What is the InChIKey of N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]thiophene-2-sulfonamide?
The InChIKey is ZWOQLJKRIKTXQI-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H16FNO4S2/c16-11-3-1-4-12(9-11)21-14-6-7-20-10-13(14)17-23(18,19)15-5-2-8-22-15/h1-5,8-9,13-14,17H,6-7,10H2/t13-,14+/m1/s1.
What are the key properties of N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]thiophene-2-sulfonamide?
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]thiophene-2-sulfonamide has a molecular weight of 357.43 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 91775771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).