5-amino-2-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzenesulfonamide

C14H22BrN3O2S — CID 65206688

IUPAC5-amino-2-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCCN1CCC(CNS(=O)(=O)c2cc(N)ccc2Br)CC1
InChIInChI=1S/C14H22BrN3O2S/c1-2-18-7-5-11(6-8-18)10-17-21(19,20)14-9-12(16)3-4-13(14)15/h3-4,9,11,17H,2,5-8,10,16H2,1H3
InChIKeyZAACRWSJJAEUFO-UHFFFAOYSA-N
MW376.32 g/mol
LogP2.04
Rot. Bonds5

About 5-amino-2-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzenesulfonamide

5-amino-2-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzenesulfonamide (PubChem CID 65206688) has the molecular formula C14H22BrN3O2S and a molecular weight of 376.32 g/mol. Its IUPAC name is 5-amino-2-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzenesulfonamide
PubChem CID65206688
Molecular FormulaC14H22BrN3O2S
Molecular Weight376.32 g/mol
Exact Mass375.06
IUPAC Name5-amino-2-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCCN1CCC(CNS(=O)(=O)c2cc(N)ccc2Br)CC1
InChIInChI=1S/C14H22BrN3O2S/c1-2-18-7-5-11(6-8-18)10-17-21(19,20)14-9-12(16)3-4-13(14)15/h3-4,9,11,17H,2,5-8,10,16H2,1H3
InChIKeyZAACRWSJJAEUFO-UHFFFAOYSA-N
XLogP2.04
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.32
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-2-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzenesulfonamide 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

4-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methoxybenzenesulfonamide
CID 60854977
4-amino-2-bromo-N-(cyclopropylmethyl)benzenesulfonamide
CID 43255757
5-amino-2-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 60855213
5-amino-2-bromo-N-propylbenzenesulfonamide
CID 65202371
5-amino-2-chloro-N-(cyclopropylmethyl)benzenesulfonamide
CID 29031468
5-(aminomethyl)-2-bromo-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide
CID 106062370
2-amino-5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
CID 62147918
5-amino-2-bromo-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 65207152
5-amino-2-bromo-N-(dicyclopropylmethyl)benzenesulfonamide
CID 65206493
5-amino-2-bromo-N-[(1,1-dioxothiolan-2-yl)methyl]benzenesulfonamide
CID 81039604
2-amino-4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 60856671
4-bromo-3-[4-(methoxymethyl)piperidin-1-yl]sulfonylaniline
CID 65206653

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 5-amino-2-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzenesulfonamide (CID 65206688) is 5-amino-2-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-amino-2-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 5-amino-2-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzenesulfonamide is CCN1CCC(CNS(=O)(=O)c2cc(N)ccc2Br)CC1.
What is the InChIKey of 5-amino-2-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzenesulfonamide?
The InChIKey is ZAACRWSJJAEUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O2S/c1-2-18-7-5-11(6-8-18)10-17-21(19,20)14-9-12(16)3-4-13(14)15/h3-4,9,11,17H,2,5-8,10,16H2,1H3.
What are the key properties of 5-amino-2-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzenesulfonamide?
5-amino-2-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzenesulfonamide has a molecular weight of 376.32 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 65206688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).