4-bromo-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide

C19H18BrN3O4S — CID 90516400

IUPAC4-bromo-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide
SMILESCOc1ccc(-c2cc(=O)n(CCNS(=O)(=O)c3ccc(Br)cc3)cn2)cc1
InChIInChI=1S/C19H18BrN3O4S/c1-27-16-6-2-14(3-7-16)18-12-19(24)23(13-21-18)11-10-22-28(25,26)17-8-4-15(20)5-9-17/h2-9,12-13,22H,10-11H2,1H3
InChIKeyXRAFATPREKBHNW-UHFFFAOYSA-N
MW464.34 g/mol
LogP2.66
Rot. Bonds7

About 4-bromo-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide

4-bromo-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide (PubChem CID 90516400) has the molecular formula C19H18BrN3O4S and a molecular weight of 464.34 g/mol. Its IUPAC name is 4-bromo-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide
PubChem CID90516400
Molecular FormulaC19H18BrN3O4S
Molecular Weight464.34 g/mol
Exact Mass463.02
IUPAC Name4-bromo-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide
SMILESCOc1ccc(-c2cc(=O)n(CCNS(=O)(=O)c3ccc(Br)cc3)cn2)cc1
InChIInChI=1S/C19H18BrN3O4S/c1-27-16-6-2-14(3-7-16)18-12-19(24)23(13-21-18)11-10-22-28(25,26)17-8-4-15(20)5-9-17/h2-9,12-13,22H,10-11H2,1H3
InChIKeyXRAFATPREKBHNW-UHFFFAOYSA-N
XLogP2.66
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-4-methylbenzenesulfonamide
CID 90516373
4-ethoxy-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide
CID 90516479
2,4-diethoxy-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide
CID 90516437
2-(4-bromophenyl)-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90515797
1-acetyl-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 90516445
3-fluoro-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-4-methoxybenzenesulfonamide
CID 90516475
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide
CID 90516462
3,4-dimethyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzenesulfonamide
CID 90516288
4-chloro-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 16820343
4-bromo-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzenesulfonamide
CID 71795219
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 90516486
N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 90515938

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide (CID 90516400) is 4-bromo-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide is COc1ccc(-c2cc(=O)n(CCNS(=O)(=O)c3ccc(Br)cc3)cn2)cc1.
What is the InChIKey of 4-bromo-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide?
The InChIKey is XRAFATPREKBHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O4S/c1-27-16-6-2-14(3-7-16)18-12-19(24)23(13-21-18)11-10-22-28(25,26)17-8-4-15(20)5-9-17/h2-9,12-13,22H,10-11H2,1H3.
What are the key properties of 4-bromo-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide?
4-bromo-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide has a molecular weight of 464.34 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 90516400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).