N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide

C20H21FN4O5S — CID 55558713

IUPACN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
SMILESO=c1[nH]c(=O)c2cc(S(=O)(=O)NCC(c3ccc(F)cc3)N3CCOCC3)ccc2[nH]1
InChIInChI=1S/C20H21FN4O5S/c21-14-3-1-13(2-4-14)18(25-7-9-30-10-8-25)12-22-31(28,29)15-5-6-17-16(11-15)19(26)24-20(27)23-17/h1-6,11,18,22H,7-10,12H2,(H2,23,24,26,27)
InChIKeyCFERDFIBFBKMLI-UHFFFAOYSA-N
MW448.48 g/mol
LogP0.71
Rot. Bonds6

About N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide (PubChem CID 55558713) has the molecular formula C20H21FN4O5S and a molecular weight of 448.48 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
PubChem CID55558713
Molecular FormulaC20H21FN4O5S
Molecular Weight448.48 g/mol
Exact Mass448.12
IUPAC NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
SMILESO=c1[nH]c(=O)c2cc(S(=O)(=O)NCC(c3ccc(F)cc3)N3CCOCC3)ccc2[nH]1
InChIInChI=1S/C20H21FN4O5S/c21-14-3-1-13(2-4-14)18(25-7-9-30-10-8-25)12-22-31(28,29)15-5-6-17-16(11-15)19(26)24-20(27)23-17/h1-6,11,18,22H,7-10,12H2,(H2,23,24,26,27)
InChIKeyCFERDFIBFBKMLI-UHFFFAOYSA-N
XLogP0.71
TPSA124.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-fluorobenzenesulfonamide
CID 112503825
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 32942505
3-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide
CID 47023210
2,4-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 92787138
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 55598485
N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 91819596
N-(2-morpholin-4-yl-2-phenylethyl)naphthalene-2-sulfonamide
CID 47023208
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-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 55434679

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide (CID 55558713) is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide is O=c1[nH]c(=O)c2cc(S(=O)(=O)NCC(c3ccc(F)cc3)N3CCOCC3)ccc2[nH]1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The InChIKey is CFERDFIBFBKMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O5S/c21-14-3-1-13(2-4-14)18(25-7-9-30-10-8-25)12-22-31(28,29)15-5-6-17-16(11-15)19(26)24-20(27)23-17/h1-6,11,18,22H,7-10,12H2,(H2,23,24,26,27).
What are the key properties of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide?
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide has a molecular weight of 448.48 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 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]-2,4-dioxo-1H-quinazoline-6-sulfonamide is sourced from PubChem (CID 55558713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).