4-bromo-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide

C13H19BrN2O3S — CID 47206424

IUPAC4-bromo-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide
SMILESCC(CN1CCOCC1)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O3S/c1-11(10-16-6-8-19-9-7-16)15-20(17,18)13-4-2-12(14)3-5-13/h2-5,11,15H,6-10H2,1H3
InChIKeyARECGTRFHCJRGK-UHFFFAOYSA-N
MW363.28 g/mol
LogP1.45
Rot. Bonds5

About 4-bromo-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide

4-bromo-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide (PubChem CID 47206424) has the molecular formula C13H19BrN2O3S and a molecular weight of 363.28 g/mol. Its IUPAC name is 4-bromo-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide
PubChem CID47206424
Molecular FormulaC13H19BrN2O3S
Molecular Weight363.28 g/mol
Exact Mass362.03
IUPAC Name4-bromo-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide
SMILESCC(CN1CCOCC1)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O3S/c1-11(10-16-6-8-19-9-7-16)15-20(17,18)13-4-2-12(14)3-5-13/h2-5,11,15H,6-10H2,1H3
InChIKeyARECGTRFHCJRGK-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

4-(bromomethyl)-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide
CID 65479823
2,4-dibromo-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide
CID 61060886
5-bromo-N-(1-morpholin-4-ylpropan-2-yl)thiophene-2-sulfonamide
CID 54938192
2-methylsulfonyl-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide
CID 55896392
N-[(2R)-1-morpholin-4-ylpropan-2-yl]naphthalene-1-sulfonamide
CID 97000893
4-chloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzenesulfonamide
CID 110440458
N-(1-morpholin-4-ylpropan-2-yl)-2-propylpyrazole-3-sulfonamide
CID 122560120
3-bromo-4-chloro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide
CID 106611588
2-amino-N-(1-morpholin-4-ylpropan-2-yl)pyridine-3-sulfonamide
CID 62151539
4-bromo-N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 30889010
2-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)pyridine-3-sulfonamide
CID 62151364
4-amino-3-(1-morpholin-4-ylpropan-2-ylamino)benzenesulfonamide
CID 82900216

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide (CID 47206424) is 4-bromo-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide is CC(CN1CCOCC1)NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide?
The InChIKey is ARECGTRFHCJRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3S/c1-11(10-16-6-8-19-9-7-16)15-20(17,18)13-4-2-12(14)3-5-13/h2-5,11,15H,6-10H2,1H3.
What are the key properties of 4-bromo-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide?
4-bromo-N-(1-morpholin-4-ylpropan-2-yl)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 4-bromo-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 47206424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).