2-[[(4-methylphenyl)sulfonylhydrazinylidene]methyl]benzoic acid

C15H14N2O4S — CID 74699055

IUPAC2-[[(4-methylphenyl)sulfonylhydrazinylidene]methyl]benzoic acid
SMILESCc1ccc(S(=O)(=O)NN=Cc2ccccc2C(=O)O)cc1
InChIInChI=1S/C15H14N2O4S/c1-11-6-8-13(9-7-11)22(20,21)17-16-10-12-4-2-3-5-14(12)15(18)19/h2-10,17H,1H3,(H,18,19)
InChIKeyLVQIGIJGONXNTE-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.01
Rot. Bonds5

About 2-[[(4-methylphenyl)sulfonylhydrazinylidene]methyl]benzoic acid

2-[[(4-methylphenyl)sulfonylhydrazinylidene]methyl]benzoic acid (PubChem CID 74699055) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-[[(4-methylphenyl)sulfonylhydrazinylidene]methyl]benzoic acid.

Molecular Properties

Compound Name2-[[(4-methylphenyl)sulfonylhydrazinylidene]methyl]benzoic acid
PubChem CID74699055
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Name2-[[(4-methylphenyl)sulfonylhydrazinylidene]methyl]benzoic acid
SMILESCc1ccc(S(=O)(=O)NN=Cc2ccccc2C(=O)O)cc1
InChIInChI=1S/C15H14N2O4S/c1-11-6-8-13(9-7-11)22(20,21)17-16-10-12-4-2-3-5-14(12)15(18)19/h2-10,17H,1H3,(H,18,19)
InChIKeyLVQIGIJGONXNTE-UHFFFAOYSA-N
XLogP2.01
TPSA95.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-(benzenesulfonylhydrazinylidene)methyl]benzoic acid
CID 6908575
2-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]benzoic acid
CID 69459382
N-[(2-iodophenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 4113219
2-[[(4-methylphenyl)hydrazinylidene]methyl]benzoic acid
CID 110840968
N-[(2-benzylphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 175789104
4-methyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide
CID 5414860
N-[(E)-[2-(fluoromethyl)phenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 10357801
N-[(Z)-(4-methylphenyl)methylideneamino]benzenesulfonamide
CID 5387407
2-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]benzoic acid
CID 5418070
4-methyl-N-[(E)-[4-[(E)-2-phenylethenyl]phenyl]methylideneamino]benzenesulfonamide
CID 162516902
N-[(2-fluoro-4-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 174212459
4-fluoro-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide
CID 110516458

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-methylphenyl)sulfonylhydrazinylidene]methyl]benzoic acid?
The IUPAC name of 2-[[(4-methylphenyl)sulfonylhydrazinylidene]methyl]benzoic acid (CID 74699055) is 2-[[(4-methylphenyl)sulfonylhydrazinylidene]methyl]benzoic acid.
What is the SMILES notation for 2-[[(4-methylphenyl)sulfonylhydrazinylidene]methyl]benzoic acid?
The canonical SMILES for 2-[[(4-methylphenyl)sulfonylhydrazinylidene]methyl]benzoic acid is Cc1ccc(S(=O)(=O)NN=Cc2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[[(4-methylphenyl)sulfonylhydrazinylidene]methyl]benzoic acid?
The InChIKey is LVQIGIJGONXNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c1-11-6-8-13(9-7-11)22(20,21)17-16-10-12-4-2-3-5-14(12)15(18)19/h2-10,17H,1H3,(H,18,19).
What are the key properties of 2-[[(4-methylphenyl)sulfonylhydrazinylidene]methyl]benzoic acid?
2-[[(4-methylphenyl)sulfonylhydrazinylidene]methyl]benzoic acid has a molecular weight of 318.35 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-methylphenyl)sulfonylhydrazinylidene]methyl]benzoic acid is sourced from PubChem (CID 74699055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).