5-bromo-2-ethoxy-N-methyl-N-piperidin-3-ylbenzenesulfonamide

C14H21BrN2O3S — CID 63644419

IUPAC5-bromo-2-ethoxy-N-methyl-N-piperidin-3-ylbenzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)N(C)C1CCCNC1
InChIInChI=1S/C14H21BrN2O3S/c1-3-20-13-7-6-11(15)9-14(13)21(18,19)17(2)12-5-4-8-16-10-12/h6-7,9,12,16H,3-5,8,10H2,1-2H3
InChIKeyLWPVPBSWOQNXLT-UHFFFAOYSA-N
MW377.30 g/mol
LogP2.22
Rot. Bonds5

About 5-bromo-2-ethoxy-N-methyl-N-piperidin-3-ylbenzenesulfonamide

5-bromo-2-ethoxy-N-methyl-N-piperidin-3-ylbenzenesulfonamide (PubChem CID 63644419) 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-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-ethoxy-N-methyl-N-piperidin-3-ylbenzenesulfonamide
PubChem CID63644419
Molecular FormulaC14H21BrN2O3S
Molecular Weight377.30 g/mol
Exact Mass376.05
IUPAC Name5-bromo-2-ethoxy-N-methyl-N-piperidin-3-ylbenzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)N(C)C1CCCNC1
InChIInChI=1S/C14H21BrN2O3S/c1-3-20-13-7-6-11(15)9-14(13)21(18,19)17(2)12-5-4-8-16-10-12/h6-7,9,12,16H,3-5,8,10H2,1-2H3
InChIKeyLWPVPBSWOQNXLT-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

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Related Compounds

5-bromo-2-ethoxy-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606983
5-bromo-N-cyclohexyl-2-ethoxy-N-methylbenzenesulfonamide
CID 2428075
5-bromo-2-methoxy-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63301153
N-(azepan-4-yl)-2,4-dibromo-N-methylbenzenesulfonamide
CID 107172943
4-bromo-N-methyl-N-pyrrolidin-3-yl-2-(trifluoromethyl)benzenesulfonamide
CID 119979113
N-(azetidin-3-yl)-5-bromo-N,2-dimethylbenzenesulfonamide
CID 66188282
3-bromo-4-ethoxy-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 119965919
3-bromo-4-ethoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964398
4-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzenesulfonamide
CID 54923408
(3R)-3-[(4-bromo-2-ethylphenoxy)methyl]piperidine
CID 86321965
4-bromo-N-methyl-2-nitro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119978996
2-chloro-4-fluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 63644245

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethoxy-N-methyl-N-piperidin-3-ylbenzenesulfonamide?
The IUPAC name of 5-bromo-2-ethoxy-N-methyl-N-piperidin-3-ylbenzenesulfonamide (CID 63644419) is 5-bromo-2-ethoxy-N-methyl-N-piperidin-3-ylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-2-ethoxy-N-methyl-N-piperidin-3-ylbenzenesulfonamide?
The canonical SMILES for 5-bromo-2-ethoxy-N-methyl-N-piperidin-3-ylbenzenesulfonamide is CCOc1ccc(Br)cc1S(=O)(=O)N(C)C1CCCNC1.
What is the InChIKey of 5-bromo-2-ethoxy-N-methyl-N-piperidin-3-ylbenzenesulfonamide?
The InChIKey is LWPVPBSWOQNXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3S/c1-3-20-13-7-6-11(15)9-14(13)21(18,19)17(2)12-5-4-8-16-10-12/h6-7,9,12,16H,3-5,8,10H2,1-2H3.
What are the key properties of 5-bromo-2-ethoxy-N-methyl-N-piperidin-3-ylbenzenesulfonamide?
5-bromo-2-ethoxy-N-methyl-N-piperidin-3-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-3-ylbenzenesulfonamide is sourced from PubChem (CID 63644419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).