2-[4-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine

C14H13BrN4O3S — CID 3253084

IUPAC2-[4-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine
SMILESNC(N)=NS(=O)(=O)c1ccc(/N=C/c2cc(Br)ccc2O)cc1
InChIInChI=1S/C14H13BrN4O3S/c15-10-1-6-13(20)9(7-10)8-18-11-2-4-12(5-3-11)23(21,22)19-14(16)17/h1-8,20H,(H4,16,17,19)/b18-8+
InChIKeyXABSJBKXTQVPEC-QGMBQPNBSA-N
MW397.25 g/mol
LogP1.87
Rot. Bonds4

About 2-[4-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine

2-[4-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine (PubChem CID 3253084) has the molecular formula C14H13BrN4O3S and a molecular weight of 397.25 g/mol. Its IUPAC name is 2-[4-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine.

Molecular Properties

Compound Name2-[4-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine
PubChem CID3253084
Molecular FormulaC14H13BrN4O3S
Molecular Weight397.25 g/mol
Exact Mass395.99
IUPAC Name2-[4-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine
SMILESNC(N)=NS(=O)(=O)c1ccc(/N=C/c2cc(Br)ccc2O)cc1
InChIInChI=1S/C14H13BrN4O3S/c15-10-1-6-13(20)9(7-10)8-18-11-2-4-12(5-3-11)23(21,22)19-14(16)17/h1-8,20H,(H4,16,17,19)/b18-8+
InChIKeyXABSJBKXTQVPEC-QGMBQPNBSA-N
XLogP1.87
TPSA131.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.25
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-((2-Hydroxybenzylidene)amino)benzenesulfonamide
CID 308397
Benzenesulfonamide, 4-[[(4-hydroxyphenyl)methylene]amino]-
CID 404202
4-[(5-Bromo-2-hydroxybenzylidene)amino]benzenesulfonamide
CID 1286568
4-((3,5-Dibromo-2-hydroxy-benzylidene)-amino)-benzenesulfonamide
CID 1286583
4-[(5-Bromo-2-hydroxybenzyl)amino]benzenesulfonamide
CID 51047320
4-{2-[(5-Bromo-2-hydroxybenzylidene)amino]ethyl}benzenesulfonamide
CID 135595474
4-[(4-Bromo-2-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 136044222
4-[(2-Hydroxy-3-methylphenyl)methylideneamino]benzenesulfonamide
CID 136053622
4-[(5-Bromo-3-chloro-2-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 168275974
4-bromo-2-[(E)-(phenylimino)methyl]phenol
CID 305088
4-Bromo-2-({[4-(1-piperidinylsulfonyl)phenyl]imino}methyl)phenol
CID 1011523
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-nitrobenzenesulfonamide
CID 137100872

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine?
The IUPAC name of 2-[4-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine (CID 3253084) is 2-[4-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine.
What is the SMILES notation for 2-[4-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine?
The canonical SMILES for 2-[4-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine is NC(N)=NS(=O)(=O)c1ccc(/N=C/c2cc(Br)ccc2O)cc1.
What is the InChIKey of 2-[4-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine?
The InChIKey is XABSJBKXTQVPEC-QGMBQPNBSA-N. The full InChI is InChI=1S/C14H13BrN4O3S/c15-10-1-6-13(20)9(7-10)8-18-11-2-4-12(5-3-11)23(21,22)19-14(16)17/h1-8,20H,(H4,16,17,19)/b18-8+.
What are the key properties of 2-[4-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine?
2-[4-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine has a molecular weight of 397.25 g/mol, XLogP of 1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine is sourced from PubChem (CID 3253084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).