5-bromo-2-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

C15H23BrN2O4S — CID 2235534

IUPAC5-bromo-2-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCOc1cc(C)c(Br)cc1S(=O)(=O)NCCCN1CCOCC1
InChIInChI=1S/C15H23BrN2O4S/c1-12-10-14(21-2)15(11-13(12)16)23(19,20)17-4-3-5-18-6-8-22-9-7-18/h10-11,17H,3-9H2,1-2H3
InChIKeyQZHFCBOPGSUHPH-UHFFFAOYSA-N
MW407.33 g/mol
LogP1.77
Rot. Bonds7

About 5-bromo-2-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

5-bromo-2-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (PubChem CID 2235534) has the molecular formula C15H23BrN2O4S and a molecular weight of 407.33 g/mol. Its IUPAC name is 5-bromo-2-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
PubChem CID2235534
Molecular FormulaC15H23BrN2O4S
Molecular Weight407.33 g/mol
Exact Mass406.06
IUPAC Name5-bromo-2-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCOc1cc(C)c(Br)cc1S(=O)(=O)NCCCN1CCOCC1
InChIInChI=1S/C15H23BrN2O4S/c1-12-10-14(21-2)15(11-13(12)16)23(19,20)17-4-3-5-18-6-8-22-9-7-18/h10-11,17H,3-9H2,1-2H3
InChIKeyQZHFCBOPGSUHPH-UHFFFAOYSA-N
XLogP1.77
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (CID 2235534) is 5-bromo-2-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is COc1cc(C)c(Br)cc1S(=O)(=O)NCCCN1CCOCC1.
What is the InChIKey of 5-bromo-2-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The InChIKey is QZHFCBOPGSUHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O4S/c1-12-10-14(21-2)15(11-13(12)16)23(19,20)17-4-3-5-18-6-8-22-9-7-18/h10-11,17H,3-9H2,1-2H3.
What are the key properties of 5-bromo-2-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
5-bromo-2-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide has a molecular weight of 407.33 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 2235534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).