N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-4-methylbenzenesulfonamide

C19H18FN3O3S — CID 90516464

IUPACN-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCn2cnc(-c3ccc(F)cc3)cc2=O)cc1
InChIInChI=1S/C19H18FN3O3S/c1-14-2-8-17(9-3-14)27(25,26)22-10-11-23-13-21-18(12-19(23)24)15-4-6-16(20)7-5-15/h2-9,12-13,22H,10-11H2,1H3
InChIKeyCQDMFAKXGVGXTQ-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.34
Rot. Bonds6

About N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-4-methylbenzenesulfonamide

N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-4-methylbenzenesulfonamide (PubChem CID 90516464) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-4-methylbenzenesulfonamide
PubChem CID90516464
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC NameN-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCn2cnc(-c3ccc(F)cc3)cc2=O)cc1
InChIInChI=1S/C19H18FN3O3S/c1-14-2-8-17(9-3-14)27(25,26)22-10-11-23-13-21-18(12-19(23)24)15-4-6-16(20)7-5-15/h2-9,12-13,22H,10-11H2,1H3
InChIKeyCQDMFAKXGVGXTQ-UHFFFAOYSA-N
XLogP2.34
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 3231708
CID 3231708
CID 3231716
CID 3231716
CID 53161460
CID 53161460
CID 49729324
CID 49729324
CID 53161475
CID 53161475
CID 56764784
CID 56764784
CID 56764800
CID 56764800
CID 71795150
CID 71795150
CID 8933333
CID 8933333
CID 25883909
CID 25883909
CID 53161469
CID 53161469
CID 56724553
CID 56724553

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-4-methylbenzenesulfonamide (CID 90516464) is N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCn2cnc(-c3ccc(F)cc3)cc2=O)cc1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-4-methylbenzenesulfonamide?
The InChIKey is CQDMFAKXGVGXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c1-14-2-8-17(9-3-14)27(25,26)22-10-11-23-13-21-18(12-19(23)24)15-4-6-16(20)7-5-15/h2-9,12-13,22H,10-11H2,1H3.
What are the key properties of N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-4-methylbenzenesulfonamide?
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-4-methylbenzenesulfonamide has a molecular weight of 387.44 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 90516464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).