4-(2,2-difluoroethoxy)-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]benzenesulfonamide

C17H18F2N2O4S — CID 100673435

IUPAC4-(2,2-difluoroethoxy)-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@H]1CCO[C@@H]1c1cccnc1)c1ccc(OCC(F)F)cc1
InChIInChI=1S/C17H18F2N2O4S/c18-16(19)11-25-13-3-5-14(6-4-13)26(22,23)21-15-7-9-24-17(15)12-2-1-8-20-10-12/h1-6,8,10,15-17,21H,7,9,11H2/t15-,17+/m0/s1
InChIKeyFOMRNOBGHJVZTH-DOTOQJQBSA-N
MW384.40 g/mol
LogP2.53
Rot. Bonds7

About 4-(2,2-difluoroethoxy)-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]benzenesulfonamide

4-(2,2-difluoroethoxy)-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]benzenesulfonamide (PubChem CID 100673435) has the molecular formula C17H18F2N2O4S and a molecular weight of 384.40 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]benzenesulfonamide
PubChem CID100673435
Molecular FormulaC17H18F2N2O4S
Molecular Weight384.40 g/mol
Exact Mass384.10
IUPAC Name4-(2,2-difluoroethoxy)-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@H]1CCO[C@@H]1c1cccnc1)c1ccc(OCC(F)F)cc1
InChIInChI=1S/C17H18F2N2O4S/c18-16(19)11-25-13-3-5-14(6-4-13)26(22,23)21-15-7-9-24-17(15)12-2-1-8-20-10-12/h1-6,8,10,15-17,21H,7,9,11H2/t15-,17+/m0/s1
InChIKeyFOMRNOBGHJVZTH-DOTOQJQBSA-N
XLogP2.53
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]benzenesulfonamide?
The IUPAC name of 4-(2,2-difluoroethoxy)-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]benzenesulfonamide (CID 100673435) is 4-(2,2-difluoroethoxy)-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]benzenesulfonamide?
The canonical SMILES for 4-(2,2-difluoroethoxy)-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]benzenesulfonamide is O=S(=O)(N[C@H]1CCO[C@@H]1c1cccnc1)c1ccc(OCC(F)F)cc1.
What is the InChIKey of 4-(2,2-difluoroethoxy)-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]benzenesulfonamide?
The InChIKey is FOMRNOBGHJVZTH-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H18F2N2O4S/c18-16(19)11-25-13-3-5-14(6-4-13)26(22,23)21-15-7-9-24-17(15)12-2-1-8-20-10-12/h1-6,8,10,15-17,21H,7,9,11H2/t15-,17+/m0/s1.
What are the key properties of 4-(2,2-difluoroethoxy)-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]benzenesulfonamide?
4-(2,2-difluoroethoxy)-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]benzenesulfonamide has a molecular weight of 384.40 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]benzenesulfonamide is sourced from PubChem (CID 100673435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).