2-fluoro-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzenesulfonamide

C15H17FN2O4S2 — CID 91780375

IUPAC2-fluoro-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1ccccc1F
InChIInChI=1S/C15H17FN2O4S2/c16-12-3-1-2-4-15(12)24(19,20)18-13-5-6-21-8-14(13)22-7-11-9-23-10-17-11/h1-4,9-10,13-14,18H,5-8H2/t13-,14-/m1/s1
InChIKeyVGZIUAMFUITTNH-ZIAGYGMSSA-N
MW372.44 g/mol
LogP1.93
Rot. Bonds6

About 2-fluoro-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzenesulfonamide

2-fluoro-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzenesulfonamide (PubChem CID 91780375) has the molecular formula C15H17FN2O4S2 and a molecular weight of 372.44 g/mol. Its IUPAC name is 2-fluoro-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzenesulfonamide
PubChem CID91780375
Molecular FormulaC15H17FN2O4S2
Molecular Weight372.44 g/mol
Exact Mass372.06
IUPAC Name2-fluoro-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1ccccc1F
InChIInChI=1S/C15H17FN2O4S2/c16-12-3-1-2-4-15(12)24(19,20)18-13-5-6-21-8-14(13)22-7-11-9-23-10-17-11/h1-4,9-10,13-14,18H,5-8H2/t13-,14-/m1/s1
InChIKeyVGZIUAMFUITTNH-ZIAGYGMSSA-N
XLogP1.93
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-pyrrole-2-carboxamide
CID 91794482
4-chloro-2-hydroxy-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide
CID 91795550
N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]quinoxaline-2-carboxamide
CID 91789371
1-[(3-fluorophenyl)methyl]-3-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]urea
CID 91798261
N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1,2-oxazole-3-carboxamide
CID 91772273
5-phenyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyrazolidine-3-carboxamide
CID 133260614
4-(hydroxymethyl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyridine-2-carboxamide
CID 91797119
2-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63825171
2-(azepan-1-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide
CID 91781794
(3R,4S)-N-(oxan-4-yl)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-amine
CID 91765709
N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1,3-benzodioxole-5-carboxamide
CID 91759736
5-methyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-2H-triazole-4-carboxamide
CID 91793986

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzenesulfonamide (CID 91780375) is 2-fluoro-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzenesulfonamide is O=S(=O)(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzenesulfonamide?
The InChIKey is VGZIUAMFUITTNH-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H17FN2O4S2/c16-12-3-1-2-4-15(12)24(19,20)18-13-5-6-21-8-14(13)22-7-11-9-23-10-17-11/h1-4,9-10,13-14,18H,5-8H2/t13-,14-/m1/s1.
What are the key properties of 2-fluoro-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzenesulfonamide?
2-fluoro-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzenesulfonamide has a molecular weight of 372.44 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzenesulfonamide is sourced from PubChem (CID 91780375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).