4-bromo-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide

C18H19BrFN3O3S — CID 1006492

IUPAC4-bromo-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc(Br)cc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H19BrFN3O3S/c19-14-1-7-17(8-2-14)27(25,26)21-13-18(24)23-11-9-22(10-12-23)16-5-3-15(20)4-6-16/h1-8,21H,9-13H2
InChIKeyOIJBHYHZNBEJIZ-UHFFFAOYSA-N
MW456.34 g/mol
LogP2.22
Rot. Bonds5

About 4-bromo-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide

4-bromo-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide (PubChem CID 1006492) has the molecular formula C18H19BrFN3O3S and a molecular weight of 456.34 g/mol. Its IUPAC name is 4-bromo-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
PubChem CID1006492
Molecular FormulaC18H19BrFN3O3S
Molecular Weight456.34 g/mol
Exact Mass455.03
IUPAC Name4-bromo-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc(Br)cc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H19BrFN3O3S/c19-14-1-7-17(8-2-14)27(25,26)21-13-18(24)23-11-9-22(10-12-23)16-5-3-15(20)4-6-16/h1-8,21H,9-13H2
InChIKeyOIJBHYHZNBEJIZ-UHFFFAOYSA-N
XLogP2.22
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(azepan-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide
CID 894307
4-bromo-N-[(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
CID 124545824
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 5183080
2,5-dichloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 1006558
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea
CID 9081569
4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9081763
5-bromo-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 7494653
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-prop-2-ynylbenzenesulfonamide
CID 46678541
4-fluoro-N-[3-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-3-oxopropyl]benzenesulfonamide
CID 55956692
2,6-difluoro-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 8713521
N-[(2R)-butan-2-yl]-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide
CID 126210865
ethane;1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-methylhydrazinyl)ethanone
CID 142843333

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide (CID 1006492) is 4-bromo-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide is O=C(CNS(=O)(=O)c1ccc(Br)cc1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-bromo-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide?
The InChIKey is OIJBHYHZNBEJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFN3O3S/c19-14-1-7-17(8-2-14)27(25,26)21-13-18(24)23-11-9-22(10-12-23)16-5-3-15(20)4-6-16/h1-8,21H,9-13H2.
What are the key properties of 4-bromo-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide?
4-bromo-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide has a molecular weight of 456.34 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 1006492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).