2-bromo-N-[(1-ethylpiperidin-3-yl)methyl]-4-methylbenzenesulfonamide

C15H23BrN2O2S — CID 47092430

IUPAC2-bromo-N-[(1-ethylpiperidin-3-yl)methyl]-4-methylbenzenesulfonamide
SMILESCCN1CCCC(CNS(=O)(=O)c2ccc(C)cc2Br)C1
InChIInChI=1S/C15H23BrN2O2S/c1-3-18-8-4-5-13(11-18)10-17-21(19,20)15-7-6-12(2)9-14(15)16/h6-7,9,13,17H,3-5,8,10-11H2,1-2H3
InChIKeyUNHQPLLTWZDPEV-UHFFFAOYSA-N
MW375.33 g/mol
LogP2.77
Rot. Bonds5

About 2-bromo-N-[(1-ethylpiperidin-3-yl)methyl]-4-methylbenzenesulfonamide

2-bromo-N-[(1-ethylpiperidin-3-yl)methyl]-4-methylbenzenesulfonamide (PubChem CID 47092430) has the molecular formula C15H23BrN2O2S and a molecular weight of 375.33 g/mol. Its IUPAC name is 2-bromo-N-[(1-ethylpiperidin-3-yl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[(1-ethylpiperidin-3-yl)methyl]-4-methylbenzenesulfonamide
PubChem CID47092430
Molecular FormulaC15H23BrN2O2S
Molecular Weight375.33 g/mol
Exact Mass374.07
IUPAC Name2-bromo-N-[(1-ethylpiperidin-3-yl)methyl]-4-methylbenzenesulfonamide
SMILESCCN1CCCC(CNS(=O)(=O)c2ccc(C)cc2Br)C1
InChIInChI=1S/C15H23BrN2O2S/c1-3-18-8-4-5-13(11-18)10-17-21(19,20)15-7-6-12(2)9-14(15)16/h6-7,9,13,17H,3-5,8,10-11H2,1-2H3
InChIKeyUNHQPLLTWZDPEV-UHFFFAOYSA-N
XLogP2.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-bromo-N-[(1-ethylpiperidin-3-yl)methyl]-4-methylbenzenesulfonamide 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

2-bromo-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 60731580
2-ethoxy-5-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]benzenesulfonamide
CID 95187888
2-[3-[(1-ethylpiperidin-3-yl)methylsulfamoyl]phenyl]acetic acid
CID 146108649
2-bromo-4-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 54927018
2-amino-4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 60856671
5-bromo-2-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
CID 61059517
4-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methoxybenzenesulfonamide
CID 60854977
2-amino-5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
CID 62147918
2-bromo-N-(2,2-dimethylbutyl)-4-methylbenzenesulfonamide
CID 103463984
2-bromo-N-(1-cyclohexylpropyl)-4-methylbenzenesulfonamide
CID 63421394
2-bromo-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 63317024
1-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-3-methylpyrazole-4-sulfonamide
CID 95226625

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1-ethylpiperidin-3-yl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of 2-bromo-N-[(1-ethylpiperidin-3-yl)methyl]-4-methylbenzenesulfonamide (CID 47092430) is 2-bromo-N-[(1-ethylpiperidin-3-yl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[(1-ethylpiperidin-3-yl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 2-bromo-N-[(1-ethylpiperidin-3-yl)methyl]-4-methylbenzenesulfonamide is CCN1CCCC(CNS(=O)(=O)c2ccc(C)cc2Br)C1.
What is the InChIKey of 2-bromo-N-[(1-ethylpiperidin-3-yl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is UNHQPLLTWZDPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2S/c1-3-18-8-4-5-13(11-18)10-17-21(19,20)15-7-6-12(2)9-14(15)16/h6-7,9,13,17H,3-5,8,10-11H2,1-2H3.
What are the key properties of 2-bromo-N-[(1-ethylpiperidin-3-yl)methyl]-4-methylbenzenesulfonamide?
2-bromo-N-[(1-ethylpiperidin-3-yl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 375.33 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(1-ethylpiperidin-3-yl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 47092430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).