2-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]sulfonylguanidine

C18H16N4O3S — CID 3878912

IUPAC2-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]sulfonylguanidine
SMILESNC(N)=NS(=O)(=O)c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C18H16N4O3S/c19-18(20)22-26(24,25)14-8-6-13(7-9-14)21-11-16-15-4-2-1-3-12(15)5-10-17(16)23/h1-11,23H,(H4,19,20,22)/b21-11+
InChIKeyQLGGGBFSWGAKSF-SRZZPIQSSA-N
MW368.42 g/mol
LogP2.26
Rot. Bonds4

About 2-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]sulfonylguanidine

2-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]sulfonylguanidine (PubChem CID 3878912) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is 2-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]sulfonylguanidine.

Molecular Properties

Compound Name2-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]sulfonylguanidine
PubChem CID3878912
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC Name2-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]sulfonylguanidine
SMILESNC(N)=NS(=O)(=O)c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C18H16N4O3S/c19-18(20)22-26(24,25)14-8-6-13(7-9-14)21-11-16-15-4-2-1-3-12(15)5-10-17(16)23/h1-11,23H,(H4,19,20,22)/b21-11+
InChIKeyQLGGGBFSWGAKSF-SRZZPIQSSA-N
XLogP2.26
TPSA131.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.26
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'}

Analyze 2-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]sulfonylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-pyrrolidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol
CID 5178626
1-[[4-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenoxy]phenyl]iminomethyl]naphthalen-2-ol
CID 4545567
(NE)-N-[(2-hydroxynaphthalen-1-yl)methylidene]benzenesulfonamide
CID 135452793
4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzenesulfonamide
CID 135862920
1-[(3,5-dimethylphenyl)iminomethyl]naphthalen-2-ol
CID 794532
1-[(3,5-dichloro-4-hydroxyphenyl)iminomethyl]naphthalen-2-ol
CID 630306
N-[(2-hydroxynaphthalen-1-yl)methylidene]-4-methoxybenzenesulfonamide
CID 148783161
4-[(2-ethoxynaphthalen-1-yl)methylideneamino]benzenesulfonamide
CID 3940132
4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 1157126
N-benzyl-N-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]benzenesulfonamide
CID 137151306
1-[(4-hydroxy-3,5-diphenylphenyl)iminomethyl]naphthalen-2-ol
CID 136702067
1-[(4-propoxyphenyl)iminomethyl]naphthalen-2-ol
CID 135713314

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]sulfonylguanidine?
The IUPAC name of 2-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]sulfonylguanidine (CID 3878912) is 2-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]sulfonylguanidine.
What is the SMILES notation for 2-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]sulfonylguanidine?
The canonical SMILES for 2-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]sulfonylguanidine is NC(N)=NS(=O)(=O)c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1.
What is the InChIKey of 2-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]sulfonylguanidine?
The InChIKey is QLGGGBFSWGAKSF-SRZZPIQSSA-N. The full InChI is InChI=1S/C18H16N4O3S/c19-18(20)22-26(24,25)14-8-6-13(7-9-14)21-11-16-15-4-2-1-3-12(15)5-10-17(16)23/h1-11,23H,(H4,19,20,22)/b21-11+.
What are the key properties of 2-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]sulfonylguanidine?
2-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]sulfonylguanidine has a molecular weight of 368.42 g/mol, XLogP of 2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]sulfonylguanidine is sourced from PubChem (CID 3878912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).