N-[(4-fluorophenyl)methyl]-2-(4-oxoquinazolin-3-yl)ethanesulfonamide

C17H16FN3O3S — CID 17417988

IUPACN-[(4-fluorophenyl)methyl]-2-(4-oxoquinazolin-3-yl)ethanesulfonamide
SMILESO=c1c2ccccc2ncn1CCS(=O)(=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H16FN3O3S/c18-14-7-5-13(6-8-14)11-20-25(23,24)10-9-21-12-19-16-4-2-1-3-15(16)17(21)22/h1-8,12,20H,9-11H2
InChIKeyAZJMWIPCXZSEQB-UHFFFAOYSA-N
MW361.40 g/mol
LogP1.66
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-2-(4-oxoquinazolin-3-yl)ethanesulfonamide

N-[(4-fluorophenyl)methyl]-2-(4-oxoquinazolin-3-yl)ethanesulfonamide (PubChem CID 17417988) has the molecular formula C17H16FN3O3S and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(4-oxoquinazolin-3-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(4-oxoquinazolin-3-yl)ethanesulfonamide
PubChem CID17417988
Molecular FormulaC17H16FN3O3S
Molecular Weight361.40 g/mol
Exact Mass361.09
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(4-oxoquinazolin-3-yl)ethanesulfonamide
SMILESO=c1c2ccccc2ncn1CCS(=O)(=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H16FN3O3S/c18-14-7-5-13(6-8-14)11-20-25(23,24)10-9-21-12-19-16-4-2-1-3-15(16)17(21)22/h1-8,12,20H,9-11H2
InChIKeyAZJMWIPCXZSEQB-UHFFFAOYSA-N
XLogP1.66
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 3-(4-oxoquinazolin-3-yl)propanoate
CID 55459341
3-(4-oxoquinazolin-3-yl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide
CID 55729811
3-propylquinazolin-4-one
CID 529124
N-[(4-chlorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 1301490
N-[(4-fluorophenyl)methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 51272205
N-(1-adamantyl)-2-(4-oxoquinazolin-3-yl)ethanesulfonamide
CID 17429775
3-[2-(2-methylsulfonylethylamino)ethyl]quinazolin-4-one
CID 62562144
N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 34487848
3-(2-chloroethyl)quinazolin-4-one
CID 4518743
3-[3-(benzenesulfonyl)propyl]quinazolin-4-one
CID 47066485
N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 75489122
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 8536635

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(4-oxoquinazolin-3-yl)ethanesulfonamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(4-oxoquinazolin-3-yl)ethanesulfonamide (CID 17417988) is N-[(4-fluorophenyl)methyl]-2-(4-oxoquinazolin-3-yl)ethanesulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(4-oxoquinazolin-3-yl)ethanesulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(4-oxoquinazolin-3-yl)ethanesulfonamide is O=c1c2ccccc2ncn1CCS(=O)(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(4-oxoquinazolin-3-yl)ethanesulfonamide?
The InChIKey is AZJMWIPCXZSEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3S/c18-14-7-5-13(6-8-14)11-20-25(23,24)10-9-21-12-19-16-4-2-1-3-15(16)17(21)22/h1-8,12,20H,9-11H2.
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(4-oxoquinazolin-3-yl)ethanesulfonamide?
N-[(4-fluorophenyl)methyl]-2-(4-oxoquinazolin-3-yl)ethanesulfonamide has a molecular weight of 361.40 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(4-oxoquinazolin-3-yl)ethanesulfonamide is sourced from PubChem (CID 17417988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).