2-bromo-N-(2-morpholin-4-ylpropyl)benzenesulfonamide

C13H19BrN2O3S — CID 43064542

IUPAC2-bromo-N-(2-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1ccccc1Br)N1CCOCC1
InChIInChI=1S/C13H19BrN2O3S/c1-11(16-6-8-19-9-7-16)10-15-20(17,18)13-5-3-2-4-12(13)14/h2-5,11,15H,6-10H2,1H3
InChIKeyVMHNVBKECGXOHV-UHFFFAOYSA-N
MW363.28 g/mol
LogP1.45
Rot. Bonds5

About 2-bromo-N-(2-morpholin-4-ylpropyl)benzenesulfonamide

2-bromo-N-(2-morpholin-4-ylpropyl)benzenesulfonamide (PubChem CID 43064542) has the molecular formula C13H19BrN2O3S and a molecular weight of 363.28 g/mol. Its IUPAC name is 2-bromo-N-(2-morpholin-4-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(2-morpholin-4-ylpropyl)benzenesulfonamide
PubChem CID43064542
Molecular FormulaC13H19BrN2O3S
Molecular Weight363.28 g/mol
Exact Mass362.03
IUPAC Name2-bromo-N-(2-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1ccccc1Br)N1CCOCC1
InChIInChI=1S/C13H19BrN2O3S/c1-11(16-6-8-19-9-7-16)10-15-20(17,18)13-5-3-2-4-12(13)14/h2-5,11,15H,6-10H2,1H3
InChIKeyVMHNVBKECGXOHV-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

2-bromo-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide
CID 25497004
2-bromo-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 75875408
N-[(2R)-2-morpholin-4-ylpropyl]-4-phenylbenzenesulfonamide
CID 39835568
2,5-dimethyl-N-(2-morpholin-4-ylpropyl)benzenesulfonamide
CID 43064565
2-methyl-N-(2-morpholin-4-ylpropyl)-3-nitrobenzenesulfonamide
CID 46445130
4-fluoro-N-(2-morpholin-4-ylpropyl)benzenesulfonamide
CID 43064575
2-bromo-N-(2-methylbutyl)benzenesulfonamide
CID 3614286
N-(3-amino-2-methylpropyl)-2-bromobenzenesulfonamide
CID 115271580
2-bromo-N-(2-ethylbutyl)benzenesulfonamide
CID 84548044
2-(methylamino)-N-(2-piperidin-1-ylpropyl)benzenesulfonamide
CID 62152910
N-[4-(2-morpholin-4-ylpropylsulfamoyl)phenyl]acetamide
CID 43064581
N-[(2S)-2-morpholin-4-ylpropyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 51873210

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-morpholin-4-ylpropyl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-(2-morpholin-4-ylpropyl)benzenesulfonamide (CID 43064542) is 2-bromo-N-(2-morpholin-4-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(2-morpholin-4-ylpropyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-(2-morpholin-4-ylpropyl)benzenesulfonamide is CC(CNS(=O)(=O)c1ccccc1Br)N1CCOCC1.
What is the InChIKey of 2-bromo-N-(2-morpholin-4-ylpropyl)benzenesulfonamide?
The InChIKey is VMHNVBKECGXOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3S/c1-11(16-6-8-19-9-7-16)10-15-20(17,18)13-5-3-2-4-12(13)14/h2-5,11,15H,6-10H2,1H3.
What are the key properties of 2-bromo-N-(2-morpholin-4-ylpropyl)benzenesulfonamide?
2-bromo-N-(2-morpholin-4-ylpropyl)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 2-bromo-N-(2-morpholin-4-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 43064542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).