4-bromo-N-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide

C19H22BrN3O4S — CID 24980944

IUPAC4-bromo-N-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Br)cc1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C19H22BrN3O4S/c20-15-5-7-16(8-6-15)28(26,27)21-10-9-19(25)23-13-11-22(12-14-23)17-3-1-2-4-18(17)24/h1-8,21,24H,9-14H2
InChIKeyLDCAYMTVGGAWIW-UHFFFAOYSA-N
MW468.37 g/mol
LogP2.17
Rot. Bonds6

About 4-bromo-N-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide

4-bromo-N-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide (PubChem CID 24980944) has the molecular formula C19H22BrN3O4S and a molecular weight of 468.37 g/mol. Its IUPAC name is 4-bromo-N-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
PubChem CID24980944
Molecular FormulaC19H22BrN3O4S
Molecular Weight468.37 g/mol
Exact Mass467.05
IUPAC Name4-bromo-N-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Br)cc1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C19H22BrN3O4S/c20-15-5-7-16(8-6-15)28(26,27)21-10-9-19(25)23-13-11-22(12-14-23)17-3-1-2-4-18(17)24/h1-8,21,24H,9-14H2
InChIKeyLDCAYMTVGGAWIW-UHFFFAOYSA-N
XLogP2.17
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.37
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-{4-[(4-bromophenyl)sulfonyl]piperazin-1-yl}-N-(2-methoxyphenyl)acetamide
CID 3241108
3-{4-[(4-bromophenyl)sulfonyl]piperazin-1-yl}-N-(2-ethoxyphenyl)propanamide
CID 3239555
[{2-[[(2-Bromo-4-sulfamoyl-phenylcarbamoyl)-methyl]-(2-hydroxy-phenyl)-amino]-ethyl}-(2-hydroxy-phenyl)-amino]-acetic acid
CID 11114620
N-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-oxopropyl]-2-(trifluoromethyl)benzenesulfonamide
CID 24980929
4-bromo-N-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 25162697
2-[4-[2-(4-Bromophenyl)sulfonylethyl]piperazin-1-yl]phenol
CID 24427591
N-(4-bromo-2-fluorophenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 24588666
5-(4-((4-fluorophenyl)sulfonyl)piperazin-1-yl)-N-(2-hydroxyphenyl)-5-oxopentanamide
CID 29134062
4-fluoro-N-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]-4-oxobutyl]-N-methylbenzenesulfonamide
CID 33800118
N-(4-bromo-2-hydroxyphenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 60513107
N-(4-bromo-2-hydroxyphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 60513159
N-[4-(dimethylsulfamoyl)phenyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 2493545

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide (CID 24980944) is 4-bromo-N-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide is O=C(CCNS(=O)(=O)c1ccc(Br)cc1)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of 4-bromo-N-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide?
The InChIKey is LDCAYMTVGGAWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O4S/c20-15-5-7-16(8-6-15)28(26,27)21-10-9-19(25)23-13-11-22(12-14-23)17-3-1-2-4-18(17)24/h1-8,21,24H,9-14H2.
What are the key properties of 4-bromo-N-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide?
4-bromo-N-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide has a molecular weight of 468.37 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 24980944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).