4-bromo-N-(3-ethyl-2-morpholin-4-ylpentyl)benzenesulfonamide

C17H27BrN2O3S — CID 46582725

IUPAC4-bromo-N-(3-ethyl-2-morpholin-4-ylpentyl)benzenesulfonamide
SMILESCCC(CC)C(CNS(=O)(=O)c1ccc(Br)cc1)N1CCOCC1
InChIInChI=1S/C17H27BrN2O3S/c1-3-14(4-2)17(20-9-11-23-12-10-20)13-19-24(21,22)16-7-5-15(18)6-8-16/h5-8,14,17,19H,3-4,9-13H2,1-2H3
InChIKeyFBJKWMRDRUXZCB-UHFFFAOYSA-N
MW419.39 g/mol
LogP2.86
Rot. Bonds8

About 4-bromo-N-(3-ethyl-2-morpholin-4-ylpentyl)benzenesulfonamide

4-bromo-N-(3-ethyl-2-morpholin-4-ylpentyl)benzenesulfonamide (PubChem CID 46582725) has the molecular formula C17H27BrN2O3S and a molecular weight of 419.39 g/mol. Its IUPAC name is 4-bromo-N-(3-ethyl-2-morpholin-4-ylpentyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(3-ethyl-2-morpholin-4-ylpentyl)benzenesulfonamide
PubChem CID46582725
Molecular FormulaC17H27BrN2O3S
Molecular Weight419.39 g/mol
Exact Mass418.09
IUPAC Name4-bromo-N-(3-ethyl-2-morpholin-4-ylpentyl)benzenesulfonamide
SMILESCCC(CC)C(CNS(=O)(=O)c1ccc(Br)cc1)N1CCOCC1
InChIInChI=1S/C17H27BrN2O3S/c1-3-14(4-2)17(20-9-11-23-12-10-20)13-19-24(21,22)16-7-5-15(18)6-8-16/h5-8,14,17,19H,3-4,9-13H2,1-2H3
InChIKeyFBJKWMRDRUXZCB-UHFFFAOYSA-N
XLogP2.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-N-(3-ethyl-2-morpholin-4-ylpentyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzenesulfonamide
CID 55598693
N-(3-ethyl-2-morpholin-4-ylpentyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 42888442
3-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-4-fluorobenzenesulfonamide
CID 46582731
4-tert-butyl-N-(3-methyl-2-morpholin-4-ylbutyl)benzenesulfonamide
CID 42938553
4-bromo-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 44903369
4-bromo-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16933137
4-fluoro-N-(2-morpholin-4-ylpropyl)benzenesulfonamide
CID 43064575
(2S)-N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 55939114
5-bromo-2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide
CID 43046378
2-bromo-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide
CID 25497004
N-[(2R)-2-morpholin-4-ylpropyl]-4-phenylbenzenesulfonamide
CID 39835568
3-chloro-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide
CID 32683344

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-ethyl-2-morpholin-4-ylpentyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(3-ethyl-2-morpholin-4-ylpentyl)benzenesulfonamide (CID 46582725) is 4-bromo-N-(3-ethyl-2-morpholin-4-ylpentyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(3-ethyl-2-morpholin-4-ylpentyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(3-ethyl-2-morpholin-4-ylpentyl)benzenesulfonamide is CCC(CC)C(CNS(=O)(=O)c1ccc(Br)cc1)N1CCOCC1.
What is the InChIKey of 4-bromo-N-(3-ethyl-2-morpholin-4-ylpentyl)benzenesulfonamide?
The InChIKey is FBJKWMRDRUXZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2O3S/c1-3-14(4-2)17(20-9-11-23-12-10-20)13-19-24(21,22)16-7-5-15(18)6-8-16/h5-8,14,17,19H,3-4,9-13H2,1-2H3.
What are the key properties of 4-bromo-N-(3-ethyl-2-morpholin-4-ylpentyl)benzenesulfonamide?
4-bromo-N-(3-ethyl-2-morpholin-4-ylpentyl)benzenesulfonamide has a molecular weight of 419.39 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-ethyl-2-morpholin-4-ylpentyl)benzenesulfonamide is sourced from PubChem (CID 46582725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).