4-[2-[(5-bromo-2-hydroxyphenyl)methylamino]ethyl]benzenesulfonamide

C15H17BrN2O3S — CID 118736326

IUPAC4-[2-[(5-bromo-2-hydroxyphenyl)methylamino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNCc2cc(Br)ccc2O)cc1
InChIInChI=1S/C15H17BrN2O3S/c16-13-3-6-15(19)12(9-13)10-18-8-7-11-1-4-14(5-2-11)22(17,20)21/h1-6,9,18-19H,7-8,10H2,(H2,17,20,21)
InChIKeyLPMYKPCLEYMBGJ-UHFFFAOYSA-N
MW385.28 g/mol
LogP2.13
Rot. Bonds6

About 4-[2-[(5-bromo-2-hydroxyphenyl)methylamino]ethyl]benzenesulfonamide

4-[2-[(5-bromo-2-hydroxyphenyl)methylamino]ethyl]benzenesulfonamide (PubChem CID 118736326) has the molecular formula C15H17BrN2O3S and a molecular weight of 385.28 g/mol. Its IUPAC name is 4-[2-[(5-bromo-2-hydroxyphenyl)methylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(5-bromo-2-hydroxyphenyl)methylamino]ethyl]benzenesulfonamide
PubChem CID118736326
Molecular FormulaC15H17BrN2O3S
Molecular Weight385.28 g/mol
Exact Mass384.01
IUPAC Name4-[2-[(5-bromo-2-hydroxyphenyl)methylamino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNCc2cc(Br)ccc2O)cc1
InChIInChI=1S/C15H17BrN2O3S/c16-13-3-6-15(19)12(9-13)10-18-8-7-11-1-4-14(5-2-11)22(17,20)21/h1-6,9,18-19H,7-8,10H2,(H2,17,20,21)
InChIKeyLPMYKPCLEYMBGJ-UHFFFAOYSA-N
XLogP2.13
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.28
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(5-Bromo-2-hydroxybenzyl)amino]benzenesulfonamide
CID 51047320
4-[2-[(4-Hydroxyphenyl)methylamino]ethyl]benzenesulfonamide
CID 61580695
4-[2-[(2-Hydroxyphenyl)methylamino]ethyl]benzenesulfonamide
CID 61580845
4-[2-[(3,5-Dibromo-2-hydroxyphenyl)methylamino]ethyl]benzenesulfonamide
CID 118736324
4-[2-[(2-Hydroxy-3-methylphenyl)methylamino]ethyl]benzenesulfonamide
CID 118736325
4-{2-[(5-Bromo-2-hydroxybenzylidene)amino]ethyl}benzenesulfonamide
CID 135595474
4-Bromo-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenol
CID 1151381
4-(2-{[2-(Benzyloxy)-5-bromobenzyl]amino}ethyl)benzenesulfonamide hydrochloride
CID 2966555
5-bromo-N-[(3-bromophenyl)methyl]-2-hydroxybenzenecarbothioamide
CID 135957276
2-[(Benzylamino)methyl]-4-bromophenol
CID 973053
4-(2-{[2-(Benzyloxy)-5-bromobenzyl]amino}ethyl)benzenesulfonamide
CID 2222193
N-ethyl-N-fluoro-4-[[(2-hydroxyphenyl)methylamino]methyl]benzenesulfonamide
CID 171536223

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-bromo-2-hydroxyphenyl)methylamino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(5-bromo-2-hydroxyphenyl)methylamino]ethyl]benzenesulfonamide (CID 118736326) is 4-[2-[(5-bromo-2-hydroxyphenyl)methylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(5-bromo-2-hydroxyphenyl)methylamino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(5-bromo-2-hydroxyphenyl)methylamino]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCNCc2cc(Br)ccc2O)cc1.
What is the InChIKey of 4-[2-[(5-bromo-2-hydroxyphenyl)methylamino]ethyl]benzenesulfonamide?
The InChIKey is LPMYKPCLEYMBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O3S/c16-13-3-6-15(19)12(9-13)10-18-8-7-11-1-4-14(5-2-11)22(17,20)21/h1-6,9,18-19H,7-8,10H2,(H2,17,20,21).
What are the key properties of 4-[2-[(5-bromo-2-hydroxyphenyl)methylamino]ethyl]benzenesulfonamide?
4-[2-[(5-bromo-2-hydroxyphenyl)methylamino]ethyl]benzenesulfonamide has a molecular weight of 385.28 g/mol, XLogP of 2.13, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-bromo-2-hydroxyphenyl)methylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 118736326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).