4-amino-3-(hydrazinecarbonyl)benzenesulfonic acid

C7H9N3O4S — CID 131492484

IUPAC4-amino-3-(hydrazinecarbonyl)benzenesulfonic acid
SMILESNNC(=O)c1cc(S(=O)(=O)O)ccc1N
InChIInChI=1S/C7H9N3O4S/c8-6-2-1-4(15(12,13)14)3-5(6)7(11)10-9/h1-3H,8-9H2,(H,10,11)(H,12,13,14)
InChIKeyWFBJFHLVCUUIMK-UHFFFAOYSA-N
MW231.23 g/mol
LogP-0.88
Rot. Bonds2

About 4-amino-3-(hydrazinecarbonyl)benzenesulfonic acid

4-amino-3-(hydrazinecarbonyl)benzenesulfonic acid (PubChem CID 131492484) has the molecular formula C7H9N3O4S and a molecular weight of 231.23 g/mol. Its IUPAC name is 4-amino-3-(hydrazinecarbonyl)benzenesulfonic acid.

Molecular Properties

Compound Name4-amino-3-(hydrazinecarbonyl)benzenesulfonic acid
PubChem CID131492484
Molecular FormulaC7H9N3O4S
Molecular Weight231.23 g/mol
Exact Mass231.03
IUPAC Name4-amino-3-(hydrazinecarbonyl)benzenesulfonic acid
SMILESNNC(=O)c1cc(S(=O)(=O)O)ccc1N
InChIInChI=1S/C7H9N3O4S/c8-6-2-1-4(15(12,13)14)3-5(6)7(11)10-9/h1-3H,8-9H2,(H,10,11)(H,12,13,14)
InChIKeyWFBJFHLVCUUIMK-UHFFFAOYSA-N
XLogP-0.88
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 5-0.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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

potassium 2-amino-5-sulfobenzoate
CID 101305590
2-(2-amino-5-sulfophenyl)-2-oxoacetic acid
CID 15250315
4-amino-3-bromobenzenesulfonic acid
CID 18398323
2-amino-5-ethylsulfonylbenzoic acid
CID 141345275
2-amino-5-propan-2-ylbenzohydrazide
CID 162699356
4-amino-3-ethenylbenzenesulfonic acid
CID 59131566
2-amino-4-nitrobenzohydrazide
CID 3575645
3-amino-4-[2-(2-amino-4-sulfophenyl)hydrazinyl]benzenesulfonic acid
CID 2749936
8-[(2-amino-5-methylbenzoyl)amino]-5-hydroxynaphthalene-2-sulfonic acid
CID 57243099
7-[(2-amino-5-methylbenzoyl)amino]-5-hydroxynaphthalene-2-sulfonic acid
CID 57107553
5-[(2-amino-5-methylbenzoyl)amino]-8-hydroxynaphthalene-2-sulfonic acid
CID 57168080
2-(2-carboxy-4-sulfophenyl)-5-sulfobenzoic acid
CID 178078504

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(hydrazinecarbonyl)benzenesulfonic acid?
The IUPAC name of 4-amino-3-(hydrazinecarbonyl)benzenesulfonic acid (CID 131492484) is 4-amino-3-(hydrazinecarbonyl)benzenesulfonic acid.
What is the SMILES notation for 4-amino-3-(hydrazinecarbonyl)benzenesulfonic acid?
The canonical SMILES for 4-amino-3-(hydrazinecarbonyl)benzenesulfonic acid is NNC(=O)c1cc(S(=O)(=O)O)ccc1N.
What is the InChIKey of 4-amino-3-(hydrazinecarbonyl)benzenesulfonic acid?
The InChIKey is WFBJFHLVCUUIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4S/c8-6-2-1-4(15(12,13)14)3-5(6)7(11)10-9/h1-3H,8-9H2,(H,10,11)(H,12,13,14).
What are the key properties of 4-amino-3-(hydrazinecarbonyl)benzenesulfonic acid?
4-amino-3-(hydrazinecarbonyl)benzenesulfonic acid has a molecular weight of 231.23 g/mol, XLogP of -0.88, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(hydrazinecarbonyl)benzenesulfonic acid is sourced from PubChem (CID 131492484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).