1-(3-bromo-4-methoxyphenyl)sulfonyl-4-propylpiperazine

C14H21BrN2O3S — CID 2454487

IUPAC1-(3-bromo-4-methoxyphenyl)sulfonyl-4-propylpiperazine
SMILESCCCN1CCN(S(=O)(=O)c2ccc(OC)c(Br)c2)CC1
InChIInChI=1S/C14H21BrN2O3S/c1-3-6-16-7-9-17(10-8-16)21(18,19)12-4-5-14(20-2)13(15)11-12/h4-5,11H,3,6-10H2,1-2H3
InChIKeyOJOUTYBVSNVIBB-UHFFFAOYSA-N
MW377.30 g/mol
LogP2.17
Rot. Bonds5

About 1-(3-bromo-4-methoxyphenyl)sulfonyl-4-propylpiperazine

1-(3-bromo-4-methoxyphenyl)sulfonyl-4-propylpiperazine (PubChem CID 2454487) has the molecular formula C14H21BrN2O3S and a molecular weight of 377.30 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)sulfonyl-4-propylpiperazine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)sulfonyl-4-propylpiperazine
PubChem CID2454487
Molecular FormulaC14H21BrN2O3S
Molecular Weight377.30 g/mol
Exact Mass376.05
IUPAC Name1-(3-bromo-4-methoxyphenyl)sulfonyl-4-propylpiperazine
SMILESCCCN1CCN(S(=O)(=O)c2ccc(OC)c(Br)c2)CC1
InChIInChI=1S/C14H21BrN2O3S/c1-3-6-16-7-9-17(10-8-16)21(18,19)12-4-5-14(20-2)13(15)11-12/h4-5,11H,3,6-10H2,1-2H3
InChIKeyOJOUTYBVSNVIBB-UHFFFAOYSA-N
XLogP2.17
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-bromo-4-methoxyphenyl)sulfonyl-4-propylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-Methoxyphenyl)sulfonyl]-4-methylpiperazine
CID 676048
1-((3-Bromo-4-methoxyphenyl)sulfonyl)pyrrolidine
CID 765795
1-Ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 843240
[4-(3-Bromo-4-methoxyphenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone
CID 9116113
5-bromo-2-methoxy-N-[2-(4-morpholinyl)ethyl]benzenesulfonamide
CID 1143545
5-bromo-N,N-diethyl-2-methoxybenzenesulfonamide
CID 882981
1-((3-Bromo-4-methoxyphenyl)sulfonyl)-4-ethylpiperazine
CID 1295697
3-bromo-N-[2-(diethylamino)ethyl]-4-methoxybenzenesulfonamide
CID 2442102
1-[(4-Bromo-2,5-dimethoxyphenyl)sulfonyl]-4-methylpiperazine
CID 660834
1-(3-Bromo-4-methoxyphenyl)sulfonylpiperidine
CID 738615
1-[(3-Bromo-4-methoxyphenyl)sulfonyl]azepane
CID 800461
1-((3-Bromo-4-methoxyphenyl)sulfonyl)-4-methylpiperidine
CID 846306

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)sulfonyl-4-propylpiperazine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)sulfonyl-4-propylpiperazine (CID 2454487) is 1-(3-bromo-4-methoxyphenyl)sulfonyl-4-propylpiperazine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)sulfonyl-4-propylpiperazine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)sulfonyl-4-propylpiperazine is CCCN1CCN(S(=O)(=O)c2ccc(OC)c(Br)c2)CC1.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)sulfonyl-4-propylpiperazine?
The InChIKey is OJOUTYBVSNVIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3S/c1-3-6-16-7-9-17(10-8-16)21(18,19)12-4-5-14(20-2)13(15)11-12/h4-5,11H,3,6-10H2,1-2H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)sulfonyl-4-propylpiperazine?
1-(3-bromo-4-methoxyphenyl)sulfonyl-4-propylpiperazine has a molecular weight of 377.30 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)sulfonyl-4-propylpiperazine is sourced from PubChem (CID 2454487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).