4-bromo-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide

C19H23BrN2O3S — CID 16890996

IUPAC4-bromo-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide
SMILESO=S(=O)(NCCCc1ccc(N2CCOCC2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C19H23BrN2O3S/c20-17-5-9-19(10-6-17)26(23,24)21-11-1-2-16-3-7-18(8-4-16)22-12-14-25-15-13-22/h3-10,21H,1-2,11-15H2
InChIKeyMJGDUKXSWGAOCN-UHFFFAOYSA-N
MW439.38 g/mol
LogP3.20
Rot. Bonds7

About 4-bromo-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide

4-bromo-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide (PubChem CID 16890996) has the molecular formula C19H23BrN2O3S and a molecular weight of 439.38 g/mol. Its IUPAC name is 4-bromo-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide
PubChem CID16890996
Molecular FormulaC19H23BrN2O3S
Molecular Weight439.38 g/mol
Exact Mass438.06
IUPAC Name4-bromo-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide
SMILESO=S(=O)(NCCCc1ccc(N2CCOCC2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C19H23BrN2O3S/c20-17-5-9-19(10-6-17)26(23,24)21-11-1-2-16-3-7-18(8-4-16)22-12-14-25-15-13-22/h3-10,21H,1-2,11-15H2
InChIKeyMJGDUKXSWGAOCN-UHFFFAOYSA-N
XLogP3.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]benzenesulfonamide
CID 16890912
4-ethyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide
CID 16890979
N-[3-(4-morpholin-4-ylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16891013
N-[3-(4-morpholin-4-ylphenyl)propyl]-4-propoxybenzenesulfonamide
CID 16891041
4-ethoxy-3-methyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide
CID 16891028
4-chloro-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]benzenesulfonamide
CID 16890704
2,4-dimethyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide
CID 16891005
N-[3-(4-pyrrolidin-1-ylphenyl)propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 16890918
N-[2-(4-morpholin-4-ylphenyl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110405037
1-(4-methoxyphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]methanesulfonamide
CID 16891059
N-[3-(4-pyrrolidin-1-ylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16890929
N-(4-morpholin-4-ylphenyl)-4-pentylbenzenesulfonamide
CID 3812810

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide (CID 16890996) is 4-bromo-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide is O=S(=O)(NCCCc1ccc(N2CCOCC2)cc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide?
The InChIKey is MJGDUKXSWGAOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O3S/c20-17-5-9-19(10-6-17)26(23,24)21-11-1-2-16-3-7-18(8-4-16)22-12-14-25-15-13-22/h3-10,21H,1-2,11-15H2.
What are the key properties of 4-bromo-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide?
4-bromo-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide has a molecular weight of 439.38 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide is sourced from PubChem (CID 16890996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).