4-bromo-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzenesulfonamide

C14H13BrN2O4S — CID 135679456

IUPAC4-bromo-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzenesulfonamide
SMILESC/C(=N\NS(=O)(=O)c1ccc(Br)cc1)c1ccc(O)cc1O
InChIInChI=1S/C14H13BrN2O4S/c1-9(13-7-4-11(18)8-14(13)19)16-17-22(20,21)12-5-2-10(15)3-6-12/h2-8,17-19H,1H3/b16-9+
InChIKeyUBWYOMVUMWXALP-CXUHLZMHSA-N
MW385.24 g/mol
LogP2.56
Rot. Bonds4

About 4-bromo-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzenesulfonamide

4-bromo-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzenesulfonamide (PubChem CID 135679456) has the molecular formula C14H13BrN2O4S and a molecular weight of 385.24 g/mol. Its IUPAC name is 4-bromo-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzenesulfonamide
PubChem CID135679456
Molecular FormulaC14H13BrN2O4S
Molecular Weight385.24 g/mol
Exact Mass383.98
IUPAC Name4-bromo-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzenesulfonamide
SMILESC/C(=N\NS(=O)(=O)c1ccc(Br)cc1)c1ccc(O)cc1O
InChIInChI=1S/C14H13BrN2O4S/c1-9(13-7-4-11(18)8-14(13)19)16-17-22(20,21)12-5-2-10(15)3-6-12/h2-8,17-19H,1H3/b16-9+
InChIKeyUBWYOMVUMWXALP-CXUHLZMHSA-N
XLogP2.56
TPSA98.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.24
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzenesulfonamide
CID 135679431
4-amino-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzenesulfonamide
CID 135431297
N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-ethylbenzenesulfonamide
CID 135647665
4-bromo-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzenesulfonamide
CID 6009587
4-bromo-N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]benzenesulfonamide
CID 9120973
4-bromo-N-[1-(2-chlorophenyl)ethylideneamino]benzenesulfonamide
CID 3580337
4-bromo-N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]benzenesulfonamide
CID 9120982
N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]naphthalene-2-sulfonamide
CID 135647660
N-[1-(4-bromophenyl)ethylideneamino]benzenesulfonamide
CID 5000888
4-bromo-N-[(Z)-1-(2,6-difluorophenyl)ethylideneamino]benzenesulfonamide
CID 9120988
N-[4-[[(Z)-1-(2-hydroxyphenyl)ethylideneamino]sulfamoyl]phenyl]acetamide
CID 135431303
4-bromo-N-[(E)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]benzenesulfonamide
CID 6052627

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzenesulfonamide (CID 135679456) is 4-bromo-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzenesulfonamide is C/C(=N\NS(=O)(=O)c1ccc(Br)cc1)c1ccc(O)cc1O.
What is the InChIKey of 4-bromo-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzenesulfonamide?
The InChIKey is UBWYOMVUMWXALP-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H13BrN2O4S/c1-9(13-7-4-11(18)8-14(13)19)16-17-22(20,21)12-5-2-10(15)3-6-12/h2-8,17-19H,1H3/b16-9+.
What are the key properties of 4-bromo-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzenesulfonamide?
4-bromo-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzenesulfonamide has a molecular weight of 385.24 g/mol, XLogP of 2.56, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzenesulfonamide is sourced from PubChem (CID 135679456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).