N-(5-fluoro-2-morpholin-4-ylphenyl)ethanesulfonamide

C12H17FN2O3S — CID 113092743

IUPACN-(5-fluoro-2-morpholin-4-ylphenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(F)ccc1N1CCOCC1
InChIInChI=1S/C12H17FN2O3S/c1-2-19(16,17)14-11-9-10(13)3-4-12(11)15-5-7-18-8-6-15/h3-4,9,14H,2,5-8H2,1H3
InChIKeyDSPQTGCAWYTVIW-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.42
Rot. Bonds4

About N-(5-fluoro-2-morpholin-4-ylphenyl)ethanesulfonamide

N-(5-fluoro-2-morpholin-4-ylphenyl)ethanesulfonamide (PubChem CID 113092743) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is N-(5-fluoro-2-morpholin-4-ylphenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(5-fluoro-2-morpholin-4-ylphenyl)ethanesulfonamide
PubChem CID113092743
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC NameN-(5-fluoro-2-morpholin-4-ylphenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(F)ccc1N1CCOCC1
InChIInChI=1S/C12H17FN2O3S/c1-2-19(16,17)14-11-9-10(13)3-4-12(11)15-5-7-18-8-6-15/h3-4,9,14H,2,5-8H2,1H3
InChIKeyDSPQTGCAWYTVIW-UHFFFAOYSA-N
XLogP1.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-fluoro-2-morpholin-4-ylphenyl)butane-1-sulfonamide
CID 113092745
N-(5-fluoro-2-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide
CID 113092748
N-(5-fluoro-2-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 113092763
N-(5-fluoro-2-morpholin-4-ylphenyl)-2,2-dimethylpropanamide
CID 113092676
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,4-difluorobenzenesulfonamide
CID 25040469
4-fluoro-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide
CID 113092686
3-[(4-fluorophenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid
CID 46292418
4-ethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7594494
N-(5-fluoro-2-morpholin-4-ylphenyl)oxane-4-carboxamide
CID 113092739
N-(5-fluoro-2-morpholin-4-ylphenyl)-2,6-dimethoxybenzamide
CID 113092695
N-(5-fluoro-2-morpholin-4-ylphenyl)-2-methylbenzamide
CID 113092681
N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)methanesulfonamide
CID 110400433

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-morpholin-4-ylphenyl)ethanesulfonamide?
The IUPAC name of N-(5-fluoro-2-morpholin-4-ylphenyl)ethanesulfonamide (CID 113092743) is N-(5-fluoro-2-morpholin-4-ylphenyl)ethanesulfonamide.
What is the SMILES notation for N-(5-fluoro-2-morpholin-4-ylphenyl)ethanesulfonamide?
The canonical SMILES for N-(5-fluoro-2-morpholin-4-ylphenyl)ethanesulfonamide is CCS(=O)(=O)Nc1cc(F)ccc1N1CCOCC1.
What is the InChIKey of N-(5-fluoro-2-morpholin-4-ylphenyl)ethanesulfonamide?
The InChIKey is DSPQTGCAWYTVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c1-2-19(16,17)14-11-9-10(13)3-4-12(11)15-5-7-18-8-6-15/h3-4,9,14H,2,5-8H2,1H3.
What are the key properties of N-(5-fluoro-2-morpholin-4-ylphenyl)ethanesulfonamide?
N-(5-fluoro-2-morpholin-4-ylphenyl)ethanesulfonamide has a molecular weight of 288.34 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-morpholin-4-ylphenyl)ethanesulfonamide is sourced from PubChem (CID 113092743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).