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

C14H21BrN2O4S — CID 2059491

IUPAC5-bromo-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NCCCN1CCOCC1
InChIInChI=1S/C14H21BrN2O4S/c1-20-13-4-3-12(15)11-14(13)22(18,19)16-5-2-6-17-7-9-21-10-8-17/h3-4,11,16H,2,5-10H2,1H3
InChIKeyJCJIUUMGVATHPI-UHFFFAOYSA-N
MW393.30 g/mol
LogP1.46
Rot. Bonds7

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

5-bromo-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (PubChem CID 2059491) has the molecular formula C14H21BrN2O4S and a molecular weight of 393.30 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
PubChem CID2059491
Molecular FormulaC14H21BrN2O4S
Molecular Weight393.30 g/mol
Exact Mass392.04
IUPAC Name5-bromo-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NCCCN1CCOCC1
InChIInChI=1S/C14H21BrN2O4S/c1-20-13-4-3-12(15)11-14(13)22(18,19)16-5-2-6-17-7-9-21-10-8-17/h3-4,11,16H,2,5-10H2,1H3
InChIKeyJCJIUUMGVATHPI-UHFFFAOYSA-N
XLogP1.46
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.30
LogP ≤ 51.46
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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Related Compounds

5-bromo-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 8843266
5-bromo-2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 8824149
2-amino-5-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 60986438
5-fluoro-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 6487446
5-bromo-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-methoxybenzenesulfonamide
CID 21092199
2-methoxy-5-methylsulfonyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 110300194
2,5-dichloro-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 654841
2-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)-5-propan-2-ylbenzenesulfonamide
CID 3132631
2-bromo-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 3138209
4-amino-5-chloro-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide;hydrochloride
CID 3047039
5-bromo-N-(3-cyclopropylpropyl)-2-methoxybenzenesulfonamide
CID 115638749
5-(benzenesulfonyl)-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 25180258

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (CID 2059491) is 5-bromo-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)NCCCN1CCOCC1.
What is the InChIKey of 5-bromo-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The InChIKey is JCJIUUMGVATHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O4S/c1-20-13-4-3-12(15)11-14(13)22(18,19)16-5-2-6-17-7-9-21-10-8-17/h3-4,11,16H,2,5-10H2,1H3.
What are the key properties of 5-bromo-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
5-bromo-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide has a molecular weight of 393.30 g/mol, XLogP of 1.46, 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-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 2059491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).