4-(2-aminobenzoyl)benzenesulfonohydrazide

C13H13N3O3S — CID 141007551

IUPAC4-(2-aminobenzoyl)benzenesulfonohydrazide
SMILESNNS(=O)(=O)c1ccc(C(=O)c2ccccc2N)cc1
InChIInChI=1S/C13H13N3O3S/c14-12-4-2-1-3-11(12)13(17)9-5-7-10(8-6-9)20(18,19)16-15/h1-8,16H,14-15H2
InChIKeyGULBROHBBNDSFI-UHFFFAOYSA-N
MW291.33 g/mol
LogP0.65
Rot. Bonds4

About 4-(2-aminobenzoyl)benzenesulfonohydrazide

4-(2-aminobenzoyl)benzenesulfonohydrazide (PubChem CID 141007551) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is 4-(2-aminobenzoyl)benzenesulfonohydrazide.

Molecular Properties

Compound Name4-(2-aminobenzoyl)benzenesulfonohydrazide
PubChem CID141007551
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Name4-(2-aminobenzoyl)benzenesulfonohydrazide
SMILESNNS(=O)(=O)c1ccc(C(=O)c2ccccc2N)cc1
InChIInChI=1S/C13H13N3O3S/c14-12-4-2-1-3-11(12)13(17)9-5-7-10(8-6-9)20(18,19)16-15/h1-8,16H,14-15H2
InChIKeyGULBROHBBNDSFI-UHFFFAOYSA-N
XLogP0.65
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-aminophenyl)-phenylmethanone
CID 158207972
(2-aminophenyl)-phenylmethanone;diphenylmethanone
CID 90112643
benzenesulfonohydrazide;hydrate
CID 21414143
2-(2-aminobenzoyl)benzoate
CID 6919456
N-[1-(2-aminophenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 78093079
benzenesulfonohydrazide;(E)-carbamoyliminourea
CID 18359618
ethyl 4-(hydrazinesulfonyl)benzoate
CID 19755145
4-[[4-(hydrazinesulfonyl)phenyl]methyl]benzenesulfonohydrazide
CID 14048861
(2-aminophenyl)-(4-bromo-3-methylphenyl)methanone
CID 82073342
2-aminobenzoate
CID 5459842
2-amino-N-(2-aminophenyl)sulfonylbenzamide
CID 166788214
[2-(2-aminoanilino)phenyl]-phenylmethanone
CID 134442621

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminobenzoyl)benzenesulfonohydrazide?
The IUPAC name of 4-(2-aminobenzoyl)benzenesulfonohydrazide (CID 141007551) is 4-(2-aminobenzoyl)benzenesulfonohydrazide.
What is the SMILES notation for 4-(2-aminobenzoyl)benzenesulfonohydrazide?
The canonical SMILES for 4-(2-aminobenzoyl)benzenesulfonohydrazide is NNS(=O)(=O)c1ccc(C(=O)c2ccccc2N)cc1.
What is the InChIKey of 4-(2-aminobenzoyl)benzenesulfonohydrazide?
The InChIKey is GULBROHBBNDSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c14-12-4-2-1-3-11(12)13(17)9-5-7-10(8-6-9)20(18,19)16-15/h1-8,16H,14-15H2.
What are the key properties of 4-(2-aminobenzoyl)benzenesulfonohydrazide?
4-(2-aminobenzoyl)benzenesulfonohydrazide has a molecular weight of 291.33 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminobenzoyl)benzenesulfonohydrazide is sourced from PubChem (CID 141007551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).