4-[2-(4-amino-5,6,7,8-tetrahydronaphthalen-1-yl)hydrazinyl]benzenesulfonic acid

C16H19N3O3S — CID 143181855

IUPAC4-[2-(4-amino-5,6,7,8-tetrahydronaphthalen-1-yl)hydrazinyl]benzenesulfonic acid
SMILESNc1ccc(NNc2ccc(S(=O)(=O)O)cc2)c2c1CCCC2
InChIInChI=1S/C16H19N3O3S/c17-15-9-10-16(14-4-2-1-3-13(14)15)19-18-11-5-7-12(8-6-11)23(20,21)22/h5-10,18-19H,1-4,17H2,(H,20,21,22)
InChIKeyGVQGCCNXPHMHNB-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.83
Rot. Bonds4

About 4-[2-(4-amino-5,6,7,8-tetrahydronaphthalen-1-yl)hydrazinyl]benzenesulfonic acid

4-[2-(4-amino-5,6,7,8-tetrahydronaphthalen-1-yl)hydrazinyl]benzenesulfonic acid (PubChem CID 143181855) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 4-[2-(4-amino-5,6,7,8-tetrahydronaphthalen-1-yl)hydrazinyl]benzenesulfonic acid.

Molecular Properties

Compound Name4-[2-(4-amino-5,6,7,8-tetrahydronaphthalen-1-yl)hydrazinyl]benzenesulfonic acid
PubChem CID143181855
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name4-[2-(4-amino-5,6,7,8-tetrahydronaphthalen-1-yl)hydrazinyl]benzenesulfonic acid
SMILESNc1ccc(NNc2ccc(S(=O)(=O)O)cc2)c2c1CCCC2
InChIInChI=1S/C16H19N3O3S/c17-15-9-10-16(14-4-2-1-3-13(14)15)19-18-11-5-7-12(8-6-11)23(20,21)22/h5-10,18-19H,1-4,17H2,(H,20,21,22)
InChIKeyGVQGCCNXPHMHNB-UHFFFAOYSA-N
XLogP2.83
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-[2-(2-amino-4-sulfophenyl)hydrazinyl]benzenesulfonic acid
CID 2749936
7-amino-2,3-dihydro-1H-indene-4-sulfonic acid
CID 12683823
4-[2,4-diamino-5-(4-aminoanilino)anilino]benzenesulfonic acid
CID 152936105
4-(methylamino)-5,6,7,8-tetrahydronaphthalene-1-sulfonic acid
CID 142919187
Sodium 4-sulfophenylurea
CID 87590877
3-[2-(4-aminophenyl)hydrazinyl]benzenesulfonic acid
CID 88586516
4,4''-(Diazoamino)dibenzenesulfonic acid disodium salt
CID 166600375
5-methoxy-2-methyl-4-[2-(4-sulfophenyl)hydrazinyl]benzenesulfonic acid
CID 87134780
4-aminobenzenesulfonic acid;copper
CID 174792931
4-[4-[2-[4-(4-aminophenyl)sulfonylphenyl]hydrazinyl]phenyl]sulfonylaniline
CID 125345696
(4-sulfoanilino)azanium chloride
CID 11172143
4-[2-(sulfomethylideneamino)hydrazinyl]benzenesulfonic acid
CID 91010096

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-amino-5,6,7,8-tetrahydronaphthalen-1-yl)hydrazinyl]benzenesulfonic acid?
The IUPAC name of 4-[2-(4-amino-5,6,7,8-tetrahydronaphthalen-1-yl)hydrazinyl]benzenesulfonic acid (CID 143181855) is 4-[2-(4-amino-5,6,7,8-tetrahydronaphthalen-1-yl)hydrazinyl]benzenesulfonic acid.
What is the SMILES notation for 4-[2-(4-amino-5,6,7,8-tetrahydronaphthalen-1-yl)hydrazinyl]benzenesulfonic acid?
The canonical SMILES for 4-[2-(4-amino-5,6,7,8-tetrahydronaphthalen-1-yl)hydrazinyl]benzenesulfonic acid is Nc1ccc(NNc2ccc(S(=O)(=O)O)cc2)c2c1CCCC2.
What is the InChIKey of 4-[2-(4-amino-5,6,7,8-tetrahydronaphthalen-1-yl)hydrazinyl]benzenesulfonic acid?
The InChIKey is GVQGCCNXPHMHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c17-15-9-10-16(14-4-2-1-3-13(14)15)19-18-11-5-7-12(8-6-11)23(20,21)22/h5-10,18-19H,1-4,17H2,(H,20,21,22).
What are the key properties of 4-[2-(4-amino-5,6,7,8-tetrahydronaphthalen-1-yl)hydrazinyl]benzenesulfonic acid?
4-[2-(4-amino-5,6,7,8-tetrahydronaphthalen-1-yl)hydrazinyl]benzenesulfonic acid has a molecular weight of 333.41 g/mol, XLogP of 2.83, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-amino-5,6,7,8-tetrahydronaphthalen-1-yl)hydrazinyl]benzenesulfonic acid is sourced from PubChem (CID 143181855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).