5-bromo-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide

C13H19BrN2O4S — CID 1143545

IUPAC5-bromo-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NCCN1CCOCC1
InChIInChI=1S/C13H19BrN2O4S/c1-19-12-3-2-11(14)10-13(12)21(17,18)15-4-5-16-6-8-20-9-7-16/h2-3,10,15H,4-9H2,1H3
InChIKeyWUSJROLXNFAHLS-UHFFFAOYSA-N
MW379.28 g/mol
LogP1.07
Rot. Bonds6

About 5-bromo-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide

5-bromo-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide (PubChem CID 1143545) has the molecular formula C13H19BrN2O4S and a molecular weight of 379.28 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
PubChem CID1143545
Molecular FormulaC13H19BrN2O4S
Molecular Weight379.28 g/mol
Exact Mass378.02
IUPAC Name5-bromo-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NCCN1CCOCC1
InChIInChI=1S/C13H19BrN2O4S/c1-19-12-3-2-11(14)10-13(12)21(17,18)15-4-5-16-6-8-20-9-7-16/h2-3,10,15H,4-9H2,1H3
InChIKeyWUSJROLXNFAHLS-UHFFFAOYSA-N
XLogP1.07
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.28
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide (CID 1143545) is 5-bromo-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)NCCN1CCOCC1.
What is the InChIKey of 5-bromo-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The InChIKey is WUSJROLXNFAHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O4S/c1-19-12-3-2-11(14)10-13(12)21(17,18)15-4-5-16-6-8-20-9-7-16/h2-3,10,15H,4-9H2,1H3.
What are the key properties of 5-bromo-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
5-bromo-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide has a molecular weight of 379.28 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 1143545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).