N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

C18H23FN4O5S — CID 55434679

IUPACN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)NCC(c2ccc(F)cc2)N2CCOCC2)c(=O)n(C)c1=O
InChIInChI=1S/C18H23FN4O5S/c1-21-12-16(17(24)22(2)18(21)25)29(26,27)20-11-15(23-7-9-28-10-8-23)13-3-5-14(19)6-4-13/h3-6,12,15,20H,7-11H2,1-2H3
InChIKeySJQYPVKPRAYAML-UHFFFAOYSA-N
MW426.47 g/mol
LogP-0.43
Rot. Bonds6

About N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 55434679) has the molecular formula C18H23FN4O5S and a molecular weight of 426.47 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID55434679
Molecular FormulaC18H23FN4O5S
Molecular Weight426.47 g/mol
Exact Mass426.14
IUPAC NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)NCC(c2ccc(F)cc2)N2CCOCC2)c(=O)n(C)c1=O
InChIInChI=1S/C18H23FN4O5S/c1-21-12-16(17(24)22(2)18(21)25)29(26,27)20-11-15(23-7-9-28-10-8-23)13-3-5-14(19)6-4-13/h3-6,12,15,20H,7-11H2,1-2H3
InChIKeySJQYPVKPRAYAML-UHFFFAOYSA-N
XLogP-0.43
TPSA102.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 42912963
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylsulfonylbenzenesulfonamide
CID 55558714
2,4-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 92787138
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
2,4-difluoro-N-[(2R)-2-morpholin-4-yl-2-phenylethyl]benzenesulfonamide
CID 94008610
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 32942505
5-fluoro-2-methoxy-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 30835930
2,5-difluoro-N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 16907692
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 55558713
1,3-dimethyl-2,4-dioxo-N-[(2R)-2-phenylbutyl]pyrimidine-5-sulfonamide
CID 26531792

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (CID 55434679) is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is Cn1cc(S(=O)(=O)NCC(c2ccc(F)cc2)N2CCOCC2)c(=O)n(C)c1=O.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is SJQYPVKPRAYAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O5S/c1-21-12-16(17(24)22(2)18(21)25)29(26,27)20-11-15(23-7-9-28-10-8-23)13-3-5-14(19)6-4-13/h3-6,12,15,20H,7-11H2,1-2H3.
What are the key properties of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 426.47 g/mol, XLogP of -0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 55434679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).