4-fluoro-N-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide

C19H23FN2O4S — CID 112504148

IUPAC4-fluoro-N-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
SMILESCOc1ccccc1C(CNS(=O)(=O)c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C19H23FN2O4S/c1-25-19-5-3-2-4-17(19)18(22-10-12-26-13-11-22)14-21-27(23,24)16-8-6-15(20)7-9-16/h2-9,18,21H,10-14H2,1H3
InChIKeyMCTXNIOYEHGPOZ-UHFFFAOYSA-N
MW394.47 g/mol
LogP2.19
Rot. Bonds7

About 4-fluoro-N-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide

4-fluoro-N-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide (PubChem CID 112504148) has the molecular formula C19H23FN2O4S and a molecular weight of 394.47 g/mol. Its IUPAC name is 4-fluoro-N-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
PubChem CID112504148
Molecular FormulaC19H23FN2O4S
Molecular Weight394.47 g/mol
Exact Mass394.14
IUPAC Name4-fluoro-N-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
SMILESCOc1ccccc1C(CNS(=O)(=O)c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C19H23FN2O4S/c1-25-19-5-3-2-4-17(19)18(22-10-12-26-13-11-22)14-21-27(23,24)16-8-6-15(20)7-9-16/h2-9,18,21H,10-14H2,1H3
InChIKeyMCTXNIOYEHGPOZ-UHFFFAOYSA-N
XLogP2.19
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 47006062
N-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]thiophene-2-sulfonamide
CID 112504149
4-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 42912963
4-fluoro-N-(2-morpholin-4-ylpropyl)benzenesulfonamide
CID 43064575
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-fluorobenzenesulfonamide
CID 112503825
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-ethylbenzenesulfonamide
CID 42892400
N-[(2S)-2-morpholin-4-yl-2-phenylethyl]benzenesulfonamide
CID 746168
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylsulfonylbenzenesulfonamide
CID 55558714
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 55512367
3,4-diethoxy-N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide
CID 52697516
3,4-diethoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide
CID 71685286
4-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55352591

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide (CID 112504148) is 4-fluoro-N-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide is COc1ccccc1C(CNS(=O)(=O)c1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of 4-fluoro-N-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide?
The InChIKey is MCTXNIOYEHGPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4S/c1-25-19-5-3-2-4-17(19)18(22-10-12-26-13-11-22)14-21-27(23,24)16-8-6-15(20)7-9-16/h2-9,18,21H,10-14H2,1H3.
What are the key properties of 4-fluoro-N-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide?
4-fluoro-N-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide has a molecular weight of 394.47 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide is sourced from PubChem (CID 112504148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).