2-[(Z)-[(2-nitro-4-sulfamoylphenyl)hydrazinylidene]methyl]benzoic acid

C14H12N4O6S — CID 6303781

IUPAC2-[(Z)-[(2-nitro-4-sulfamoylphenyl)hydrazinylidene]methyl]benzoic acid
SMILESNS(=O)(=O)c1ccc(N/N=C\c2ccccc2C(=O)O)c([N+](=O)[O-])c1
InChIInChI=1S/C14H12N4O6S/c15-25(23,24)10-5-6-12(13(7-10)18(21)22)17-16-8-9-3-1-2-4-11(9)14(19)20/h1-8,17H,(H,19,20)(H2,15,23,24)/b16-8-
InChIKeyWYWALDPPNQYKEC-PXNMLYILSA-N
MW364.34 g/mol
LogP1.39
Rot. Bonds6

About 2-[(Z)-[(2-nitro-4-sulfamoylphenyl)hydrazinylidene]methyl]benzoic acid

2-[(Z)-[(2-nitro-4-sulfamoylphenyl)hydrazinylidene]methyl]benzoic acid (PubChem CID 6303781) has the molecular formula C14H12N4O6S and a molecular weight of 364.34 g/mol. Its IUPAC name is 2-[(Z)-[(2-nitro-4-sulfamoylphenyl)hydrazinylidene]methyl]benzoic acid.

Molecular Properties

Compound Name2-[(Z)-[(2-nitro-4-sulfamoylphenyl)hydrazinylidene]methyl]benzoic acid
PubChem CID6303781
Molecular FormulaC14H12N4O6S
Molecular Weight364.34 g/mol
Exact Mass364.05
IUPAC Name2-[(Z)-[(2-nitro-4-sulfamoylphenyl)hydrazinylidene]methyl]benzoic acid
SMILESNS(=O)(=O)c1ccc(N/N=C\c2ccccc2C(=O)O)c([N+](=O)[O-])c1
InChIInChI=1S/C14H12N4O6S/c15-25(23,24)10-5-6-12(13(7-10)18(21)22)17-16-8-9-3-1-2-4-11(9)14(19)20/h1-8,17H,(H,19,20)(H2,15,23,24)/b16-8-
InChIKeyWYWALDPPNQYKEC-PXNMLYILSA-N
XLogP1.39
TPSA164.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzoic acid
CID 5463188
2-[[4-[(2Z)-2-[(2,3-dihydroxyphenyl)methylidene]hydrazinyl]-3-nitrophenyl]sulfonylamino]benzoic acid
CID 135881855
2-[[3-nitro-4-[2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]phenyl]sulfonylamino]benzoic acid
CID 4311350
4-[2-[(3,4-dihydroxyphenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 4077408
3-nitro-4-[(2E)-2-(1H-pyrrol-2-ylmethylidene)hydrazinyl]benzenesulfonamide
CID 135752106
2-[[(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)hydrazinylidene]methyl]phenol
CID 4225514
3-nitro-4-[(2Z)-2-(1-phenylethylidene)hydrazinyl]benzenesulfonamide
CID 6116556
2-[[4-[(2E)-2-[(3-ethoxy-2-hydroxyphenyl)methylidene]hydrazinyl]-3-nitrophenyl]sulfonylamino]benzoic acid
CID 135613890
4-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 135684512
4-[2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 4990748
2-[[4-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-nitrophenyl]sulfonylamino]benzoic acid
CID 6140567
4-[2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 4230490

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[(2-nitro-4-sulfamoylphenyl)hydrazinylidene]methyl]benzoic acid?
The IUPAC name of 2-[(Z)-[(2-nitro-4-sulfamoylphenyl)hydrazinylidene]methyl]benzoic acid (CID 6303781) is 2-[(Z)-[(2-nitro-4-sulfamoylphenyl)hydrazinylidene]methyl]benzoic acid.
What is the SMILES notation for 2-[(Z)-[(2-nitro-4-sulfamoylphenyl)hydrazinylidene]methyl]benzoic acid?
The canonical SMILES for 2-[(Z)-[(2-nitro-4-sulfamoylphenyl)hydrazinylidene]methyl]benzoic acid is NS(=O)(=O)c1ccc(N/N=C\c2ccccc2C(=O)O)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[(Z)-[(2-nitro-4-sulfamoylphenyl)hydrazinylidene]methyl]benzoic acid?
The InChIKey is WYWALDPPNQYKEC-PXNMLYILSA-N. The full InChI is InChI=1S/C14H12N4O6S/c15-25(23,24)10-5-6-12(13(7-10)18(21)22)17-16-8-9-3-1-2-4-11(9)14(19)20/h1-8,17H,(H,19,20)(H2,15,23,24)/b16-8-.
What are the key properties of 2-[(Z)-[(2-nitro-4-sulfamoylphenyl)hydrazinylidene]methyl]benzoic acid?
2-[(Z)-[(2-nitro-4-sulfamoylphenyl)hydrazinylidene]methyl]benzoic acid has a molecular weight of 364.34 g/mol, XLogP of 1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[(2-nitro-4-sulfamoylphenyl)hydrazinylidene]methyl]benzoic acid is sourced from PubChem (CID 6303781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).