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

C19H24BrN3O3S — CID 42267824

IUPAC2-bromo-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzenesulfonamide
SMILESCOc1ccccc1N1CCN(CCNS(=O)(=O)c2ccccc2Br)CC1
InChIInChI=1S/C19H24BrN3O3S/c1-26-18-8-4-3-7-17(18)23-14-12-22(13-15-23)11-10-21-27(24,25)19-9-5-2-6-16(19)20/h2-9,21H,10-15H2,1H3
InChIKeyWUEBOEYVDQFCKR-UHFFFAOYSA-N
MW454.39 g/mol
LogP2.56
Rot. Bonds7

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

2-bromo-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzenesulfonamide (PubChem CID 42267824) has the molecular formula C19H24BrN3O3S and a molecular weight of 454.39 g/mol. Its IUPAC name is 2-bromo-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzenesulfonamide
PubChem CID42267824
Molecular FormulaC19H24BrN3O3S
Molecular Weight454.39 g/mol
Exact Mass453.07
IUPAC Name2-bromo-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzenesulfonamide
SMILESCOc1ccccc1N1CCN(CCNS(=O)(=O)c2ccccc2Br)CC1
InChIInChI=1S/C19H24BrN3O3S/c1-26-18-8-4-3-7-17(18)23-14-12-22(13-15-23)11-10-21-27(24,25)19-9-5-2-6-16(19)20/h2-9,21H,10-15H2,1H3
InChIKeyWUEBOEYVDQFCKR-UHFFFAOYSA-N
XLogP2.56
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-nitrobenzenesulfonamide
CID 42267812
2-bromo-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 60703082
4-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-methylbenzenesulfonamide
CID 42267853
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenylethanesulfonamide
CID 29344564
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 42267855
5-chloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-methylbenzenesulfonamide
CID 42388721
5-(dimethylamino)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]naphthalene-1-sulfonamide
CID 44598727
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 29344573
2-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]aniline
CID 22458185
1-[3-(dimethylsulfamoylamino)propyl]-4-(2-methoxyphenyl)piperazine
CID 110284680
8-amino-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4,5-dihydro-3H-1,2-benzodioxepine-7-sulfonamide
CID 88643833
1-[2-(benzenesulfonyl)ethyl]-4-(2-methoxyphenyl)piperazine
CID 31338508

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzenesulfonamide (CID 42267824) is 2-bromo-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzenesulfonamide is COc1ccccc1N1CCN(CCNS(=O)(=O)c2ccccc2Br)CC1.
What is the InChIKey of 2-bromo-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzenesulfonamide?
The InChIKey is WUEBOEYVDQFCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O3S/c1-26-18-8-4-3-7-17(18)23-14-12-22(13-15-23)11-10-21-27(24,25)19-9-5-2-6-16(19)20/h2-9,21H,10-15H2,1H3.
What are the key properties of 2-bromo-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzenesulfonamide?
2-bromo-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzenesulfonamide has a molecular weight of 454.39 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 42267824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).