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

C14H21BrN2O3S — CID 65479823

IUPAC4-(bromomethyl)-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide
SMILESCC(CN1CCOCC1)NS(=O)(=O)c1ccc(CBr)cc1
InChIInChI=1S/C14H21BrN2O3S/c1-12(11-17-6-8-20-9-7-17)16-21(18,19)14-4-2-13(10-15)3-5-14/h2-5,12,16H,6-11H2,1H3
InChIKeyUSBPVOCNJSUBAS-UHFFFAOYSA-N
MW377.30 g/mol
LogP1.58
Rot. Bonds6

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

4-(bromomethyl)-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide (PubChem CID 65479823) has the molecular formula C14H21BrN2O3S and a molecular weight of 377.30 g/mol. Its IUPAC name is 4-(bromomethyl)-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide
PubChem CID65479823
Molecular FormulaC14H21BrN2O3S
Molecular Weight377.30 g/mol
Exact Mass376.05
IUPAC Name4-(bromomethyl)-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide
SMILESCC(CN1CCOCC1)NS(=O)(=O)c1ccc(CBr)cc1
InChIInChI=1S/C14H21BrN2O3S/c1-12(11-17-6-8-20-9-7-17)16-21(18,19)14-4-2-13(10-15)3-5-14/h2-5,12,16H,6-11H2,1H3
InChIKeyUSBPVOCNJSUBAS-UHFFFAOYSA-N
XLogP1.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide
CID 47206424
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
4-(bromomethyl)-N-[4-(dimethylamino)butan-2-yl]benzenesulfonamide
CID 65480832
N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-propylbenzenesulfonamide
CID 8844499
2-amino-N-(1-morpholin-4-ylpropan-2-yl)pyridine-3-sulfonamide
CID 62151539
N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-(2-methylpropyl)benzenesulfonamide
CID 78874200
2-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)pyridine-3-sulfonamide
CID 62151364

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-(bromomethyl)-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide (CID 65479823) is 4-(bromomethyl)-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(bromomethyl)-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(bromomethyl)-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide is CC(CN1CCOCC1)NS(=O)(=O)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide?
The InChIKey is USBPVOCNJSUBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3S/c1-12(11-17-6-8-20-9-7-17)16-21(18,19)14-4-2-13(10-15)3-5-14/h2-5,12,16H,6-11H2,1H3.
What are the key properties of 4-(bromomethyl)-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide?
4-(bromomethyl)-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide has a molecular weight of 377.30 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 65479823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).