5-[[4-[(Z)-3-(benzylamino)-2-hydrazinylprop-2-enoxy]phenyl]sulfamoyl]-2-methylbenzoic acid

C24H26N4O5S — CID 130280736

IUPAC5-[[4-[(Z)-3-(benzylamino)-2-hydrazinylprop-2-enoxy]phenyl]sulfamoyl]-2-methylbenzoic acid
SMILESCc1ccc(S(=O)(=O)Nc2ccc(OC/C(=C/NCc3ccccc3)NN)cc2)cc1C(=O)O
InChIInChI=1S/C24H26N4O5S/c1-17-7-12-22(13-23(17)24(29)30)34(31,32)28-19-8-10-21(11-9-19)33-16-20(27-25)15-26-14-18-5-3-2-4-6-18/h2-13,15,26-28H,14,16,25H2,1H3,(H,29,30)/b20-15-
InChIKeyVEABUNVCILCHAA-HKWRFOASSA-N
MW482.56 g/mol
LogP2.97
Rot. Bonds11

About 5-[[4-[(Z)-3-(benzylamino)-2-hydrazinylprop-2-enoxy]phenyl]sulfamoyl]-2-methylbenzoic acid

5-[[4-[(Z)-3-(benzylamino)-2-hydrazinylprop-2-enoxy]phenyl]sulfamoyl]-2-methylbenzoic acid (PubChem CID 130280736) has the molecular formula C24H26N4O5S and a molecular weight of 482.56 g/mol. Its IUPAC name is 5-[[4-[(Z)-3-(benzylamino)-2-hydrazinylprop-2-enoxy]phenyl]sulfamoyl]-2-methylbenzoic acid.

Molecular Properties

Compound Name5-[[4-[(Z)-3-(benzylamino)-2-hydrazinylprop-2-enoxy]phenyl]sulfamoyl]-2-methylbenzoic acid
PubChem CID130280736
Molecular FormulaC24H26N4O5S
Molecular Weight482.56 g/mol
Exact Mass482.16
IUPAC Name5-[[4-[(Z)-3-(benzylamino)-2-hydrazinylprop-2-enoxy]phenyl]sulfamoyl]-2-methylbenzoic acid
SMILESCc1ccc(S(=O)(=O)Nc2ccc(OC/C(=C/NCc3ccccc3)NN)cc2)cc1C(=O)O
InChIInChI=1S/C24H26N4O5S/c1-17-7-12-22(13-23(17)24(29)30)34(31,32)28-19-8-10-21(11-9-19)33-16-20(27-25)15-26-14-18-5-3-2-4-6-18/h2-13,15,26-28H,14,16,25H2,1H3,(H,29,30)/b20-15-
InChIKeyVEABUNVCILCHAA-HKWRFOASSA-N
XLogP2.97
TPSA142.78 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 52.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[[4-[(3,5-difluorophenyl)methoxy]phenyl]sulfamoyl]-2-methylbenzoic acid
CID 58937182
2-methyl-5-[(4-naphthalen-2-ylphenyl)sulfamoyl]benzoic acid
CID 58937102
2-methyl-5-[(4-propan-2-yloxyphenyl)sulfamoyl]benzoic acid
CID 51113766
2-methyl-5-(phenylsulfamoyl)benzamide
CID 870864
methyl 5-[[4-[(3,5-dimethylphenyl)methoxy]phenyl]sulfamoyl]-2-methylbenzoate
CID 58937149
N-[2-(benzylamino)-2-oxoethyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 36698057
5-[(3-ethoxyphenyl)sulfonylamino]-2-methylbenzoic acid
CID 136540449
ethyl 2-[4-(benzenesulfonamido)phenoxy]acetate
CID 23470984
N-(4-ethoxyphenyl)-4-methyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 27670419
2-methyl-5-[[4-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]phenyl]sulfamoyl]benzoic acid
CID 58937146
N-(4-methoxyphenyl)-4-methyl-3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide
CID 55350821
5-[(3-carboxyphenyl)sulfamoyl]-2-methylbenzoic acid
CID 45407611

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(Z)-3-(benzylamino)-2-hydrazinylprop-2-enoxy]phenyl]sulfamoyl]-2-methylbenzoic acid?
The IUPAC name of 5-[[4-[(Z)-3-(benzylamino)-2-hydrazinylprop-2-enoxy]phenyl]sulfamoyl]-2-methylbenzoic acid (CID 130280736) is 5-[[4-[(Z)-3-(benzylamino)-2-hydrazinylprop-2-enoxy]phenyl]sulfamoyl]-2-methylbenzoic acid.
What is the SMILES notation for 5-[[4-[(Z)-3-(benzylamino)-2-hydrazinylprop-2-enoxy]phenyl]sulfamoyl]-2-methylbenzoic acid?
The canonical SMILES for 5-[[4-[(Z)-3-(benzylamino)-2-hydrazinylprop-2-enoxy]phenyl]sulfamoyl]-2-methylbenzoic acid is Cc1ccc(S(=O)(=O)Nc2ccc(OC/C(=C/NCc3ccccc3)NN)cc2)cc1C(=O)O.
What is the InChIKey of 5-[[4-[(Z)-3-(benzylamino)-2-hydrazinylprop-2-enoxy]phenyl]sulfamoyl]-2-methylbenzoic acid?
The InChIKey is VEABUNVCILCHAA-HKWRFOASSA-N. The full InChI is InChI=1S/C24H26N4O5S/c1-17-7-12-22(13-23(17)24(29)30)34(31,32)28-19-8-10-21(11-9-19)33-16-20(27-25)15-26-14-18-5-3-2-4-6-18/h2-13,15,26-28H,14,16,25H2,1H3,(H,29,30)/b20-15-.
What are the key properties of 5-[[4-[(Z)-3-(benzylamino)-2-hydrazinylprop-2-enoxy]phenyl]sulfamoyl]-2-methylbenzoic acid?
5-[[4-[(Z)-3-(benzylamino)-2-hydrazinylprop-2-enoxy]phenyl]sulfamoyl]-2-methylbenzoic acid has a molecular weight of 482.56 g/mol, XLogP of 2.97, 11 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(Z)-3-(benzylamino)-2-hydrazinylprop-2-enoxy]phenyl]sulfamoyl]-2-methylbenzoic acid is sourced from PubChem (CID 130280736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).