4-[2-[4-[2-(6-anilino-1-hydroxy-3-methylnaphthalen-2-yl)hydrazinyl]-5-methoxy-2-methylphenyl]hydrazinyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide

C35H40N6O6S — CID 91326315

IUPAC4-[2-[4-[2-(6-anilino-1-hydroxy-3-methylnaphthalen-2-yl)hydrazinyl]-5-methoxy-2-methylphenyl]hydrazinyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide
SMILESCOc1cc(NNc2ccc(S(=O)(=O)N(CCO)CCO)cc2)c(C)cc1NNc1c(C)cc2cc(Nc3ccccc3)ccc2c1O
InChIInChI=1S/C35H40N6O6S/c1-23-20-32(39-40-34-24(2)19-25-21-28(11-14-30(25)35(34)44)36-26-7-5-4-6-8-26)33(47-3)22-31(23)38-37-27-9-12-29(13-10-27)48(45,46)41(15-17-42)16-18-43/h4-14,19-22,36-40,42-44H,15-18H2,1-3H3
InChIKeyQJPUZMALWHOTPX-UHFFFAOYSA-N
MW672.81 g/mol
LogP5.77
Rot. Bonds15

About 4-[2-[4-[2-(6-anilino-1-hydroxy-3-methylnaphthalen-2-yl)hydrazinyl]-5-methoxy-2-methylphenyl]hydrazinyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide

4-[2-[4-[2-(6-anilino-1-hydroxy-3-methylnaphthalen-2-yl)hydrazinyl]-5-methoxy-2-methylphenyl]hydrazinyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide (PubChem CID 91326315) has the molecular formula C35H40N6O6S and a molecular weight of 672.81 g/mol. Its IUPAC name is 4-[2-[4-[2-(6-anilino-1-hydroxy-3-methylnaphthalen-2-yl)hydrazinyl]-5-methoxy-2-methylphenyl]hydrazinyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[4-[2-(6-anilino-1-hydroxy-3-methylnaphthalen-2-yl)hydrazinyl]-5-methoxy-2-methylphenyl]hydrazinyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide
PubChem CID91326315
Molecular FormulaC35H40N6O6S
Molecular Weight672.81 g/mol
Exact Mass672.27
IUPAC Name4-[2-[4-[2-(6-anilino-1-hydroxy-3-methylnaphthalen-2-yl)hydrazinyl]-5-methoxy-2-methylphenyl]hydrazinyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide
SMILESCOc1cc(NNc2ccc(S(=O)(=O)N(CCO)CCO)cc2)c(C)cc1NNc1c(C)cc2cc(Nc3ccccc3)ccc2c1O
InChIInChI=1S/C35H40N6O6S/c1-23-20-32(39-40-34-24(2)19-25-21-28(11-14-30(25)35(34)44)36-26-7-5-4-6-8-26)33(47-3)22-31(23)38-37-27-9-12-29(13-10-27)48(45,46)41(15-17-42)16-18-43/h4-14,19-22,36-40,42-44H,15-18H2,1-3H3
InChIKeyQJPUZMALWHOTPX-UHFFFAOYSA-N
XLogP5.77
TPSA167.45 Ų
H-Bond Donors8
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms48
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500672.81
LogP ≤ 55.77
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

5-amino-3-[2-[4-[2-[4-[bis(2-hydroxyethyl)sulfamoyl]phenyl]hydrazinyl]-2-methoxy-5-methylphenyl]hydrazinyl]-4-hydroxynaphthalene-2,7-disulfonic acid
CID 118029533
5-amino-3-[[4-[2-[4-[bis(2-hydroxyethyl)sulfamoyl]phenyl]hydrazinyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
CID 136968661
tetrasodium;7-anilino-3-[[2,5-dimethyl-4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;tris(7-anilino-4-hydroxy-3-[(2,4,5-trimethylphenyl)diazenyl]naphthalene-2-sulfonate);N,N-diethyl-4-(methyldiazenyl)benzenesulfonamide;N-(2-hydroxyethyl)-4-(methyldiazenyl)-N-propylbenzenesulfonamide;methane;4-(methyldiazenyl)-N-(4-methylphenyl)benzenesulfonamide
CID 165111171
4-[2-[5-hydroxy-6-[2-[4-[2-(8-hydroxy-4,6-disulfonaphthalen-1-yl)hydrazinyl]-2-methoxy-5-methylphenyl]hydrazinyl]-7-sulfonaphthalen-2-yl]hydrazinyl]-3-oxo-2-(4-sulfophenyl)-1H-pyrazole-5-carboxylic acid
CID 91480231
3-methoxy-4-[2-[4-(4-methoxyanilino)phenyl]hydrazinyl]-N-phenylaniline
CID 57321576
5-methoxy-2-methyl-4-[2-(4-sulfophenyl)hydrazinyl]benzenesulfonic acid
CID 87134780
7-anilino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
CID 157424812
3-methoxy-4-methyl-N-phenylaniline;4-methylbenzenesulfonic acid
CID 91301925
7-anilino-3-[[2,5-dimethoxy-4-[[4-(methylsulfamoyl)phenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
CID 137126017
4-[[4-[[4-[[4-[(6-anilino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-5-methoxy-2-methylphenyl]diazenyl]-5-methoxy-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]benzene-1,3-disulfonic acid
CID 136606748
7-anilino-3-[[4-[[2,5-dimethoxy-4-[(4-methyl-2-sulfophenyl)diazenyl]phenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
CID 137200907
4-hydroxy-7-(4-methoxyanilino)-3-[(4-phenyldiazenylphenyl)diazenyl]naphthalene-2-sulfonic acid
CID 137002037

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-(6-anilino-1-hydroxy-3-methylnaphthalen-2-yl)hydrazinyl]-5-methoxy-2-methylphenyl]hydrazinyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 4-[2-[4-[2-(6-anilino-1-hydroxy-3-methylnaphthalen-2-yl)hydrazinyl]-5-methoxy-2-methylphenyl]hydrazinyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide (CID 91326315) is 4-[2-[4-[2-(6-anilino-1-hydroxy-3-methylnaphthalen-2-yl)hydrazinyl]-5-methoxy-2-methylphenyl]hydrazinyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-[2-[4-[2-(6-anilino-1-hydroxy-3-methylnaphthalen-2-yl)hydrazinyl]-5-methoxy-2-methylphenyl]hydrazinyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 4-[2-[4-[2-(6-anilino-1-hydroxy-3-methylnaphthalen-2-yl)hydrazinyl]-5-methoxy-2-methylphenyl]hydrazinyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide is COc1cc(NNc2ccc(S(=O)(=O)N(CCO)CCO)cc2)c(C)cc1NNc1c(C)cc2cc(Nc3ccccc3)ccc2c1O.
What is the InChIKey of 4-[2-[4-[2-(6-anilino-1-hydroxy-3-methylnaphthalen-2-yl)hydrazinyl]-5-methoxy-2-methylphenyl]hydrazinyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is QJPUZMALWHOTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40N6O6S/c1-23-20-32(39-40-34-24(2)19-25-21-28(11-14-30(25)35(34)44)36-26-7-5-4-6-8-26)33(47-3)22-31(23)38-37-27-9-12-29(13-10-27)48(45,46)41(15-17-42)16-18-43/h4-14,19-22,36-40,42-44H,15-18H2,1-3H3.
What are the key properties of 4-[2-[4-[2-(6-anilino-1-hydroxy-3-methylnaphthalen-2-yl)hydrazinyl]-5-methoxy-2-methylphenyl]hydrazinyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide?
4-[2-[4-[2-(6-anilino-1-hydroxy-3-methylnaphthalen-2-yl)hydrazinyl]-5-methoxy-2-methylphenyl]hydrazinyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 672.81 g/mol, XLogP of 5.77, 15 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[2-(6-anilino-1-hydroxy-3-methylnaphthalen-2-yl)hydrazinyl]-5-methoxy-2-methylphenyl]hydrazinyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 91326315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).