2-chloro-5-fluoro-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzenesulfonamide

C11H10ClFN2O3S — CID 97257899

IUPAC2-chloro-5-fluoro-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1cc(F)ccc1Cl)c1ccon1
InChIInChI=1S/C11H10ClFN2O3S/c1-7(10-4-5-18-14-10)15-19(16,17)11-6-8(13)2-3-9(11)12/h2-7,15H,1H3/t7-/m1/s1
InChIKeyFOCCBFBFCOZHNT-SSDOTTSWSA-N
MW304.73 g/mol
LogP2.51
Rot. Bonds4

About 2-chloro-5-fluoro-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzenesulfonamide

2-chloro-5-fluoro-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzenesulfonamide (PubChem CID 97257899) has the molecular formula C11H10ClFN2O3S and a molecular weight of 304.73 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzenesulfonamide
PubChem CID97257899
Molecular FormulaC11H10ClFN2O3S
Molecular Weight304.73 g/mol
Exact Mass304.01
IUPAC Name2-chloro-5-fluoro-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1cc(F)ccc1Cl)c1ccon1
InChIInChI=1S/C11H10ClFN2O3S/c1-7(10-4-5-18-14-10)15-19(16,17)11-6-8(13)2-3-9(11)12/h2-7,15H,1H3/t7-/m1/s1
InChIKeyFOCCBFBFCOZHNT-SSDOTTSWSA-N
XLogP2.51
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-chloro-5-fluoro-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzenesulfonamide (CID 97257899) is 2-chloro-5-fluoro-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-fluoro-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-5-fluoro-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzenesulfonamide is C[C@@H](NS(=O)(=O)c1cc(F)ccc1Cl)c1ccon1.
What is the InChIKey of 2-chloro-5-fluoro-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is FOCCBFBFCOZHNT-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H10ClFN2O3S/c1-7(10-4-5-18-14-10)15-19(16,17)11-6-8(13)2-3-9(11)12/h2-7,15H,1H3/t7-/m1/s1.
What are the key properties of 2-chloro-5-fluoro-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzenesulfonamide?
2-chloro-5-fluoro-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 304.73 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 97257899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).