4-(4-fluoroanilino)-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide

C16H15FN2O4S — CID 129065849

IUPAC4-(4-fluoroanilino)-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide
SMILESO=C1OCC[C@@H]1NS(=O)(=O)c1ccc(Nc2ccc(F)cc2)cc1
InChIInChI=1S/C16H15FN2O4S/c17-11-1-3-12(4-2-11)18-13-5-7-14(8-6-13)24(21,22)19-15-9-10-23-16(15)20/h1-8,15,18-19H,9-10H2/t15-/m0/s1
InChIKeyATSKBKHRTDOASP-HNNXBMFYSA-N
MW350.37 g/mol
LogP2.16
Rot. Bonds5

About 4-(4-fluoroanilino)-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide

4-(4-fluoroanilino)-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide (PubChem CID 129065849) has the molecular formula C16H15FN2O4S and a molecular weight of 350.37 g/mol. Its IUPAC name is 4-(4-fluoroanilino)-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-(4-fluoroanilino)-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide
PubChem CID129065849
Molecular FormulaC16H15FN2O4S
Molecular Weight350.37 g/mol
Exact Mass350.07
IUPAC Name4-(4-fluoroanilino)-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide
SMILESO=C1OCC[C@@H]1NS(=O)(=O)c1ccc(Nc2ccc(F)cc2)cc1
InChIInChI=1S/C16H15FN2O4S/c17-11-1-3-12(4-2-11)18-13-5-7-14(8-6-13)24(21,22)19-15-9-10-23-16(15)20/h1-8,15,18-19H,9-10H2/t15-/m0/s1
InChIKeyATSKBKHRTDOASP-HNNXBMFYSA-N
XLogP2.16
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoroanilino)-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide?
The IUPAC name of 4-(4-fluoroanilino)-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide (CID 129065849) is 4-(4-fluoroanilino)-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-(4-fluoroanilino)-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide?
The canonical SMILES for 4-(4-fluoroanilino)-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide is O=C1OCC[C@@H]1NS(=O)(=O)c1ccc(Nc2ccc(F)cc2)cc1.
What is the InChIKey of 4-(4-fluoroanilino)-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide?
The InChIKey is ATSKBKHRTDOASP-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H15FN2O4S/c17-11-1-3-12(4-2-11)18-13-5-7-14(8-6-13)24(21,22)19-15-9-10-23-16(15)20/h1-8,15,18-19H,9-10H2/t15-/m0/s1.
What are the key properties of 4-(4-fluoroanilino)-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide?
4-(4-fluoroanilino)-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide has a molecular weight of 350.37 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoroanilino)-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide is sourced from PubChem (CID 129065849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).