1-[1-(4-amino-2-bromophenyl)sulfonylpiperidin-4-yl]ethanol

C13H19BrN2O3S — CID 106835153

IUPAC1-[1-(4-amino-2-bromophenyl)sulfonylpiperidin-4-yl]ethanol
SMILESCC(O)C1CCN(S(=O)(=O)c2ccc(N)cc2Br)CC1
InChIInChI=1S/C13H19BrN2O3S/c1-9(17)10-4-6-16(7-5-10)20(18,19)13-3-2-11(15)8-12(13)14/h2-3,8-10,17H,4-7,15H2,1H3
InChIKeyHDPHZTSOJQFAQR-UHFFFAOYSA-N
MW363.28 g/mol
LogP1.81
Rot. Bonds3

About 1-[1-(4-amino-2-bromophenyl)sulfonylpiperidin-4-yl]ethanol

1-[1-(4-amino-2-bromophenyl)sulfonylpiperidin-4-yl]ethanol (PubChem CID 106835153) has the molecular formula C13H19BrN2O3S and a molecular weight of 363.28 g/mol. Its IUPAC name is 1-[1-(4-amino-2-bromophenyl)sulfonylpiperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(4-amino-2-bromophenyl)sulfonylpiperidin-4-yl]ethanol
PubChem CID106835153
Molecular FormulaC13H19BrN2O3S
Molecular Weight363.28 g/mol
Exact Mass362.03
IUPAC Name1-[1-(4-amino-2-bromophenyl)sulfonylpiperidin-4-yl]ethanol
SMILESCC(O)C1CCN(S(=O)(=O)c2ccc(N)cc2Br)CC1
InChIInChI=1S/C13H19BrN2O3S/c1-9(17)10-4-6-16(7-5-10)20(18,19)13-3-2-11(15)8-12(13)14/h2-3,8-10,17H,4-7,15H2,1H3
InChIKeyHDPHZTSOJQFAQR-UHFFFAOYSA-N
XLogP1.81
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-[1-(4-amino-2-bromophenyl)sulfonylpiperidin-4-yl]ethanol 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

3-bromo-4-(4-propylpiperidin-1-yl)sulfonylaniline
CID 62200546
2-[1-(4-amino-2-bromophenyl)sulfonylpiperidin-4-yl]acetamide
CID 61140872
2-[1-(4-amino-2-bromophenyl)sulfonylpiperidin-4-yl]oxyethanol
CID 82012317
3-bromo-4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]aniline
CID 79166014
5-amino-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 115964792
1-[1-(5-amino-2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]ethanol
CID 106835228
1-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]ethanol
CID 103834565
3-bromo-4-(3,4,5-trimethylpiperazin-1-yl)sulfonylaniline
CID 114542810
3-bromo-4-(4,4-dimethylazepan-1-yl)sulfonylaniline
CID 65283466
1-[1-(4-bromo-3-methylphenyl)sulfonylpiperidin-4-yl]ethanol
CID 103834649
2-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylbenzoic acid
CID 106835669
1-[1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]ethanol
CID 103834631

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-amino-2-bromophenyl)sulfonylpiperidin-4-yl]ethanol?
The IUPAC name of 1-[1-(4-amino-2-bromophenyl)sulfonylpiperidin-4-yl]ethanol (CID 106835153) is 1-[1-(4-amino-2-bromophenyl)sulfonylpiperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-(4-amino-2-bromophenyl)sulfonylpiperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-(4-amino-2-bromophenyl)sulfonylpiperidin-4-yl]ethanol is CC(O)C1CCN(S(=O)(=O)c2ccc(N)cc2Br)CC1.
What is the InChIKey of 1-[1-(4-amino-2-bromophenyl)sulfonylpiperidin-4-yl]ethanol?
The InChIKey is HDPHZTSOJQFAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3S/c1-9(17)10-4-6-16(7-5-10)20(18,19)13-3-2-11(15)8-12(13)14/h2-3,8-10,17H,4-7,15H2,1H3.
What are the key properties of 1-[1-(4-amino-2-bromophenyl)sulfonylpiperidin-4-yl]ethanol?
1-[1-(4-amino-2-bromophenyl)sulfonylpiperidin-4-yl]ethanol has a molecular weight of 363.28 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-amino-2-bromophenyl)sulfonylpiperidin-4-yl]ethanol is sourced from PubChem (CID 106835153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).