N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-fluorobenzenesulfonamide

C18H20ClFN2O3S — CID 112503825

IUPACN-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCC(c1ccc(Cl)cc1)N1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C18H20ClFN2O3S/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
InChIKeyUQDVCMWOELLWRV-UHFFFAOYSA-N
MW398.89 g/mol
LogP2.83
Rot. Bonds6

About N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-fluorobenzenesulfonamide

N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-fluorobenzenesulfonamide (PubChem CID 112503825) has the molecular formula C18H20ClFN2O3S and a molecular weight of 398.89 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-fluorobenzenesulfonamide
PubChem CID112503825
Molecular FormulaC18H20ClFN2O3S
Molecular Weight398.89 g/mol
Exact Mass398.09
IUPAC NameN-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCC(c1ccc(Cl)cc1)N1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C18H20ClFN2O3S/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
InChIKeyUQDVCMWOELLWRV-UHFFFAOYSA-N
XLogP2.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 42912963
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
2,4-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 92787138
2-(4-chlorophenyl)sulfonyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
CID 55369853
N-[(2S)-2-morpholin-4-yl-2-phenylethyl]benzenesulfonamide
CID 746168
4-chloro-N-[(2S)-2-[4-[(1S)-2-[(4-chlorophenyl)sulfonylamino]-1-phenylethyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide
CID 7067570
4-chloro-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 7243475
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-fluorobenzenesulfonamide (CID 112503825) is N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-fluorobenzenesulfonamide is O=S(=O)(NCC(c1ccc(Cl)cc1)N1CCOCC1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-fluorobenzenesulfonamide?
The InChIKey is UQDVCMWOELLWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O3S/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 N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-fluorobenzenesulfonamide?
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-fluorobenzenesulfonamide has a molecular weight of 398.89 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 112503825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).