5-bromo-2-ethoxy-N-methyl-N-piperidin-4-ylbenzenesulfonamide

C14H21BrN2O3S — CID 43606983

IUPAC5-bromo-2-ethoxy-N-methyl-N-piperidin-4-ylbenzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)N(C)C1CCNCC1
InChIInChI=1S/C14H21BrN2O3S/c1-3-20-13-5-4-11(15)10-14(13)21(18,19)17(2)12-6-8-16-9-7-12/h4-5,10,12,16H,3,6-9H2,1-2H3
InChIKeyIKTOWLHSNKDTFW-UHFFFAOYSA-N
MW377.30 g/mol
LogP2.22
Rot. Bonds5

About 5-bromo-2-ethoxy-N-methyl-N-piperidin-4-ylbenzenesulfonamide

5-bromo-2-ethoxy-N-methyl-N-piperidin-4-ylbenzenesulfonamide (PubChem CID 43606983) has the molecular formula C14H21BrN2O3S and a molecular weight of 377.30 g/mol. Its IUPAC name is 5-bromo-2-ethoxy-N-methyl-N-piperidin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-ethoxy-N-methyl-N-piperidin-4-ylbenzenesulfonamide
PubChem CID43606983
Molecular FormulaC14H21BrN2O3S
Molecular Weight377.30 g/mol
Exact Mass376.05
IUPAC Name5-bromo-2-ethoxy-N-methyl-N-piperidin-4-ylbenzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)N(C)C1CCNCC1
InChIInChI=1S/C14H21BrN2O3S/c1-3-20-13-5-4-11(15)10-14(13)21(18,19)17(2)12-6-8-16-9-7-12/h4-5,10,12,16H,3,6-9H2,1-2H3
InChIKeyIKTOWLHSNKDTFW-UHFFFAOYSA-N
XLogP2.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-2-ethoxy-N-methyl-N-piperidin-4-ylbenzenesulfonamide 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

5-bromo-N-cyclohexyl-2-ethoxy-N-methylbenzenesulfonamide
CID 2428075
5-bromo-2-ethoxy-N-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 63644419
3-bromo-4-ethoxy-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 119965919
5-bromo-2-methoxy-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63301153
N-(azepan-4-yl)-2,4-dibromo-N-methylbenzenesulfonamide
CID 107172943
5-amino-2-ethoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 43663017
4-bromo-N-methyl-N-pyrrolidin-3-yl-2-(trifluoromethyl)benzenesulfonamide
CID 119979113
4-bromo-5-fluoro-2-methoxy-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 120707436
5-bromo-2-ethoxybenzenesulfonic acid;hydrochloride
CID 174820450
N-(azetidin-3-yl)-5-bromo-N,2-dimethylbenzenesulfonamide
CID 66188282
N-(azepan-4-yl)-4-ethoxy-N-methylbenzenesulfonamide
CID 107173129
4-bromo-N-ethyl-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 116527878

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethoxy-N-methyl-N-piperidin-4-ylbenzenesulfonamide?
The IUPAC name of 5-bromo-2-ethoxy-N-methyl-N-piperidin-4-ylbenzenesulfonamide (CID 43606983) is 5-bromo-2-ethoxy-N-methyl-N-piperidin-4-ylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-2-ethoxy-N-methyl-N-piperidin-4-ylbenzenesulfonamide?
The canonical SMILES for 5-bromo-2-ethoxy-N-methyl-N-piperidin-4-ylbenzenesulfonamide is CCOc1ccc(Br)cc1S(=O)(=O)N(C)C1CCNCC1.
What is the InChIKey of 5-bromo-2-ethoxy-N-methyl-N-piperidin-4-ylbenzenesulfonamide?
The InChIKey is IKTOWLHSNKDTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3S/c1-3-20-13-5-4-11(15)10-14(13)21(18,19)17(2)12-6-8-16-9-7-12/h4-5,10,12,16H,3,6-9H2,1-2H3.
What are the key properties of 5-bromo-2-ethoxy-N-methyl-N-piperidin-4-ylbenzenesulfonamide?
5-bromo-2-ethoxy-N-methyl-N-piperidin-4-ylbenzenesulfonamide has a molecular weight of 377.30 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethoxy-N-methyl-N-piperidin-4-ylbenzenesulfonamide is sourced from PubChem (CID 43606983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).