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

C20H17ClN6O3S — CID 135858940

IUPAC2-[4-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]phenyl]sulfonylguanidine
SMILESNC(N)=NS(=O)(=O)c1ccc(/N=C/c2cc(/N=N/c3ccccc3Cl)ccc2O)cc1
InChIInChI=1S/C20H17ClN6O3S/c21-17-3-1-2-4-18(17)26-25-15-7-10-19(28)13(11-15)12-24-14-5-8-16(9-6-14)31(29,30)27-20(22)23/h1-12,28H,(H4,22,23,27)/b24-12+,26-25+
InChIKeySHFLGDMJAWQUPP-HDARYGDVSA-N
MW456.92 g/mol
LogP4.17
Rot. Bonds6

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

2-[4-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]phenyl]sulfonylguanidine (PubChem CID 135858940) has the molecular formula C20H17ClN6O3S and a molecular weight of 456.92 g/mol. Its IUPAC name is 2-[4-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]phenyl]sulfonylguanidine.

Molecular Properties

Compound Name2-[4-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]phenyl]sulfonylguanidine
PubChem CID135858940
Molecular FormulaC20H17ClN6O3S
Molecular Weight456.92 g/mol
Exact Mass456.08
IUPAC Name2-[4-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]phenyl]sulfonylguanidine
SMILESNC(N)=NS(=O)(=O)c1ccc(/N=C/c2cc(/N=N/c3ccccc3Cl)ccc2O)cc1
InChIInChI=1S/C20H17ClN6O3S/c21-17-3-1-2-4-18(17)26-25-15-7-10-19(28)13(11-15)12-24-14-5-8-16(9-6-14)31(29,30)27-20(22)23/h1-12,28H,(H4,22,23,27)/b24-12+,26-25+
InChIKeySHFLGDMJAWQUPP-HDARYGDVSA-N
XLogP4.17
TPSA155.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.92
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(2-chloro-5-nitrophenyl)methylideneamino]phenyl]sulfonylguanidine
CID 3760612
(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
methyl N-[(Z)-[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]carbamate
CID 135783700
N-[(E)-[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]benzamide
CID 135578358
2-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine
CID 4572847
N-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 3444435
(NE)-N-[(2-hydroxyphenyl)methylidene]-4-[(2-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 135473169
(5E)-5-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 137059706
2-(4-bromophenyl)-N-[(E)-[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]acetamide
CID 135579462
4-phenyldiazenyl-2-[(4-propan-2-ylphenyl)iminomethyl]phenol
CID 137158226
2-[[4-hydroxy-3-[(4-methoxyphenyl)iminomethyl]phenyl]diazenyl]benzoic acid
CID 136901151

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]phenyl]sulfonylguanidine?
The IUPAC name of 2-[4-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]phenyl]sulfonylguanidine (CID 135858940) is 2-[4-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]phenyl]sulfonylguanidine.
What is the SMILES notation for 2-[4-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]phenyl]sulfonylguanidine?
The canonical SMILES for 2-[4-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]phenyl]sulfonylguanidine is NC(N)=NS(=O)(=O)c1ccc(/N=C/c2cc(/N=N/c3ccccc3Cl)ccc2O)cc1.
What is the InChIKey of 2-[4-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]phenyl]sulfonylguanidine?
The InChIKey is SHFLGDMJAWQUPP-HDARYGDVSA-N. The full InChI is InChI=1S/C20H17ClN6O3S/c21-17-3-1-2-4-18(17)26-25-15-7-10-19(28)13(11-15)12-24-14-5-8-16(9-6-14)31(29,30)27-20(22)23/h1-12,28H,(H4,22,23,27)/b24-12+,26-25+.
What are the key properties of 2-[4-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]phenyl]sulfonylguanidine?
2-[4-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]phenyl]sulfonylguanidine has a molecular weight of 456.92 g/mol, XLogP of 4.17, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]phenyl]sulfonylguanidine is sourced from PubChem (CID 135858940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).