2-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine

C14H12Br2N4O3S — CID 4572847

IUPAC2-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine
SMILESNC(N)=NS(=O)(=O)c1ccc(/N=C/c2cc(Br)cc(Br)c2O)cc1
InChIInChI=1S/C14H12Br2N4O3S/c15-9-5-8(13(21)12(16)6-9)7-19-10-1-3-11(4-2-10)24(22,23)20-14(17)18/h1-7,21H,(H4,17,18,20)/b19-7+
InChIKeyACDOWVVVIMVICL-FBCYGCLPSA-N
MW476.15 g/mol
LogP2.63
Rot. Bonds4

About 2-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine

2-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine (PubChem CID 4572847) has the molecular formula C14H12Br2N4O3S and a molecular weight of 476.15 g/mol. Its IUPAC name is 2-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine.

Molecular Properties

Compound Name2-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine
PubChem CID4572847
Molecular FormulaC14H12Br2N4O3S
Molecular Weight476.15 g/mol
Exact Mass473.90
IUPAC Name2-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine
SMILESNC(N)=NS(=O)(=O)c1ccc(/N=C/c2cc(Br)cc(Br)c2O)cc1
InChIInChI=1S/C14H12Br2N4O3S/c15-9-5-8(13(21)12(16)6-9)7-19-10-1-3-11(4-2-10)24(22,23)20-14(17)18/h1-7,21H,(H4,17,18,20)/b19-7+
InChIKeyACDOWVVVIMVICL-FBCYGCLPSA-N
XLogP2.63
TPSA131.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.15
LogP ≤ 52.63
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

2,4-dibromo-6-[[4-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]phenol
CID 4655751
N-(aminomethyl)-4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 142691931
2,4-dibromo-6-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol
CID 135778678
2-[4-[(2-chloro-5-nitrophenyl)methylideneamino]phenyl]sulfonylguanidine
CID 3760612
2,4-dibromo-6-[[4-[2-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]propan-2-yl]phenyl]iminomethyl]phenol
CID 4996119
2,4-dibromo-6-[(3-bromophenyl)iminomethyl]phenol
CID 1286585
4-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzenesulfonic acid
CID 4779411
2-[4-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]phenyl]sulfonylguanidine
CID 135858940
ethyl 4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzoate
CID 1286584
(1E)-1-[(2-hydroxyphenyl)methylidene]-2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine
CID 135473186
2-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]sulfonylguanidine
CID 3878912
2,4-dibromo-6-[(3-nitrophenyl)iminomethyl]phenol
CID 1286595

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine?
The IUPAC name of 2-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine (CID 4572847) is 2-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine.
What is the SMILES notation for 2-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine?
The canonical SMILES for 2-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine is NC(N)=NS(=O)(=O)c1ccc(/N=C/c2cc(Br)cc(Br)c2O)cc1.
What is the InChIKey of 2-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine?
The InChIKey is ACDOWVVVIMVICL-FBCYGCLPSA-N. The full InChI is InChI=1S/C14H12Br2N4O3S/c15-9-5-8(13(21)12(16)6-9)7-19-10-1-3-11(4-2-10)24(22,23)20-14(17)18/h1-7,21H,(H4,17,18,20)/b19-7+.
What are the key properties of 2-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine?
2-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine has a molecular weight of 476.15 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine is sourced from PubChem (CID 4572847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).