3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzenesulfonamide

C13H19BrN2O3S — CID 115630805

IUPAC3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzenesulfonamide
SMILESCCN1CCOC(CNS(=O)(=O)c2cccc(Br)c2)C1
InChIInChI=1S/C13H19BrN2O3S/c1-2-16-6-7-19-12(10-16)9-15-20(17,18)13-5-3-4-11(14)8-13/h3-5,8,12,15H,2,6-7,9-10H2,1H3
InChIKeyKTHABGMOMSYDBU-UHFFFAOYSA-N
MW363.28 g/mol
LogP1.45
Rot. Bonds5

About 3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzenesulfonamide

3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzenesulfonamide (PubChem CID 115630805) has the molecular formula C13H19BrN2O3S and a molecular weight of 363.28 g/mol. Its IUPAC name is 3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzenesulfonamide
PubChem CID115630805
Molecular FormulaC13H19BrN2O3S
Molecular Weight363.28 g/mol
Exact Mass362.03
IUPAC Name3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzenesulfonamide
SMILESCCN1CCOC(CNS(=O)(=O)c2cccc(Br)c2)C1
InChIInChI=1S/C13H19BrN2O3S/c1-2-16-6-7-19-12(10-16)9-15-20(17,18)13-5-3-4-11(14)8-13/h3-5,8,12,15H,2,6-7,9-10H2,1H3
InChIKeyKTHABGMOMSYDBU-UHFFFAOYSA-N
XLogP1.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-hydroxybenzenesulfonamide
CID 114399093
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-5-fluorobenzenesulfonamide
CID 114399151
3-bromo-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 31481223
3-bromo-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 47406414
N-[(4-ethylmorpholin-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 114401040
5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-2-methylthiophene-3-sulfonamide
CID 115690361
N-[(4-benzylmorpholin-2-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 18144535
3-bromo-N-(1-ethylpiperidin-3-yl)benzenesulfonamide
CID 47350084
N-[(4-ethylmorpholin-2-yl)methyl]-4-oxo-1H-pyridine-3-sulfonamide
CID 114401039
3-bromo-N-[(4-ethylcyclohexyl)methyl]benzenesulfonamide
CID 63422973
2-amino-N-[(4-ethylmorpholin-2-yl)methyl]ethanesulfonamide
CID 114399731
3-(1-aminoethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 79083047

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzenesulfonamide (CID 115630805) is 3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzenesulfonamide is CCN1CCOC(CNS(=O)(=O)c2cccc(Br)c2)C1.
What is the InChIKey of 3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzenesulfonamide?
The InChIKey is KTHABGMOMSYDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3S/c1-2-16-6-7-19-12(10-16)9-15-20(17,18)13-5-3-4-11(14)8-13/h3-5,8,12,15H,2,6-7,9-10H2,1H3.
What are the key properties of 3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzenesulfonamide?
3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzenesulfonamide has a molecular weight of 363.28 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 115630805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).