N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylsulfonylbenzenesulfonamide

C19H23FN2O5S2 — CID 55558714

IUPACN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylsulfonylbenzenesulfonamide
SMILESCS(=O)(=O)c1ccccc1S(=O)(=O)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C19H23FN2O5S2/c1-28(23,24)18-4-2-3-5-19(18)29(25,26)21-14-17(22-10-12-27-13-11-22)15-6-8-16(20)9-7-15/h2-9,17,21H,10-14H2,1H3
InChIKeyAAOHBJOFRVBMKZ-UHFFFAOYSA-N
MW442.53 g/mol
LogP1.58
Rot. Bonds7

About N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylsulfonylbenzenesulfonamide

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylsulfonylbenzenesulfonamide (PubChem CID 55558714) has the molecular formula C19H23FN2O5S2 and a molecular weight of 442.53 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylsulfonylbenzenesulfonamide
PubChem CID55558714
Molecular FormulaC19H23FN2O5S2
Molecular Weight442.53 g/mol
Exact Mass442.10
IUPAC NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylsulfonylbenzenesulfonamide
SMILESCS(=O)(=O)c1ccccc1S(=O)(=O)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C19H23FN2O5S2/c1-28(23,24)18-4-2-3-5-19(18)29(25,26)21-14-17(22-10-12-27-13-11-22)15-6-8-16(20)9-7-15/h2-9,17,21H,10-14H2,1H3
InChIKeyAAOHBJOFRVBMKZ-UHFFFAOYSA-N
XLogP1.58
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.53
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 42912963
2,4-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 92787138
2,4-difluoro-N-[(2R)-2-morpholin-4-yl-2-phenylethyl]benzenesulfonamide
CID 94008610
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 55434679
4-fluoro-2-methyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 44903236
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-fluorobenzenesulfonamide
CID 112503825
3,4-difluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 42891982
N-[(2S)-2-morpholin-4-yl-2-phenylethyl]benzenesulfonamide
CID 746168
2-chloro-5-methylsulfonyl-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide
CID 55598948
5-fluoro-2-methoxy-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 30835930
3-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide
CID 47023210
4-fluoro-N-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 112504148

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylsulfonylbenzenesulfonamide (CID 55558714) is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylsulfonylbenzenesulfonamide is CS(=O)(=O)c1ccccc1S(=O)(=O)NCC(c1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylsulfonylbenzenesulfonamide?
The InChIKey is AAOHBJOFRVBMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O5S2/c1-28(23,24)18-4-2-3-5-19(18)29(25,26)21-14-17(22-10-12-27-13-11-22)15-6-8-16(20)9-7-15/h2-9,17,21H,10-14H2,1H3.
What are the key properties of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylsulfonylbenzenesulfonamide?
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylsulfonylbenzenesulfonamide has a molecular weight of 442.53 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 55558714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).