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

C18H20F2N2O3S — CID 42912963

IUPAC4-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
SMILESO=S(=O)(NCC(c1ccc(F)cc1)N1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C18H20F2N2O3S/c19-15-3-1-14(2-4-15)18(22-9-11-25-12-10-22)13-21-26(23,24)17-7-5-16(20)6-8-17/h1-8,18,21H,9-13H2
InChIKeyYHBNFTCIVSTWJF-UHFFFAOYSA-N
MW382.43 g/mol
LogP2.32
Rot. Bonds6

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

4-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide (PubChem CID 42912963) has the molecular formula C18H20F2N2O3S and a molecular weight of 382.43 g/mol. Its IUPAC name is 4-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
PubChem CID42912963
Molecular FormulaC18H20F2N2O3S
Molecular Weight382.43 g/mol
Exact Mass382.12
IUPAC Name4-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
SMILESO=S(=O)(NCC(c1ccc(F)cc1)N1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C18H20F2N2O3S/c19-15-3-1-14(2-4-15)18(22-9-11-25-12-10-22)13-21-26(23,24)17-7-5-16(20)6-8-17/h1-8,18,21H,9-13H2
InChIKeyYHBNFTCIVSTWJF-UHFFFAOYSA-N
XLogP2.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 32942505
N-[(2S)-2-morpholin-4-yl-2-phenylethyl]benzenesulfonamide
CID 746168
2,4-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 92787138
4-fluoro-N-(2-morpholin-4-ylpropyl)benzenesulfonamide
CID 43064575
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 55558713
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylsulfonylbenzenesulfonamide
CID 55558714
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
N-[(2R)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide
CID 30631191
4-N-cyclopropyl-1-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzene-1,4-disulfonamide
CID 55873638

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide (CID 42912963) is 4-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide is O=S(=O)(NCC(c1ccc(F)cc1)N1CCOCC1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide?
The InChIKey is YHBNFTCIVSTWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O3S/c19-15-3-1-14(2-4-15)18(22-9-11-25-12-10-22)13-21-26(23,24)17-7-5-16(20)6-8-17/h1-8,18,21H,9-13H2.
What are the key properties of 4-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide?
4-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide has a molecular weight of 382.43 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide is sourced from PubChem (CID 42912963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).