N-(4-chlorophenyl)-2-[(2Z)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide

C20H17ClN4O5S — CID 135874286

IUPACN-(4-chlorophenyl)-2-[(2Z)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide
SMILESC/C(=N/Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1)c1ccc(O)cc1
InChIInChI=1S/C20H17ClN4O5S/c1-13(14-2-9-18(26)10-3-14)22-23-19-11-8-17(25(27)28)12-20(19)31(29,30)24-16-6-4-15(21)5-7-16/h2-12,23-24,26H,1H3/b22-13-
InChIKeyFKGBUNMZMOBZBP-XKZIYDEJSA-N
MW460.90 g/mol
LogP4.59
Rot. Bonds7

About N-(4-chlorophenyl)-2-[(2Z)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide

N-(4-chlorophenyl)-2-[(2Z)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide (PubChem CID 135874286) has the molecular formula C20H17ClN4O5S and a molecular weight of 460.90 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(2Z)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(2Z)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide
PubChem CID135874286
Molecular FormulaC20H17ClN4O5S
Molecular Weight460.90 g/mol
Exact Mass460.06
IUPAC NameN-(4-chlorophenyl)-2-[(2Z)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide
SMILESC/C(=N/Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1)c1ccc(O)cc1
InChIInChI=1S/C20H17ClN4O5S/c1-13(14-2-9-18(26)10-3-14)22-23-19-11-8-17(25(27)28)12-20(19)31(29,30)24-16-6-4-15(21)5-7-16/h2-12,23-24,26H,1H3/b22-13-
InChIKeyFKGBUNMZMOBZBP-XKZIYDEJSA-N
XLogP4.59
TPSA133.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.90
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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

N-(4-chlorophenyl)-2-[2-[1-(4-cyanophenyl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide
CID 4166078
N-(4-chlorophenyl)-2-[2-[1-(2-hydroxy-4-methoxyphenyl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide
CID 3903228
N-(4-chlorophenyl)-2-[2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide
CID 4038495
N-(4-chlorophenyl)-2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide
CID 5112356
N-(4-chlorophenyl)-5-nitro-2-[2-(1-pyridin-2-ylethylidene)hydrazinyl]benzenesulfonamide
CID 4050583
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2,4-dinitroaniline
CID 6138465
N-(4-chlorophenyl)-2-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide
CID 135874288
2-[2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 3651261
2-[2-(2-adamantylidene)hydrazinyl]-N-(4-chlorophenyl)-5-nitrobenzenesulfonamide
CID 3901320
N-(2-chlorophenyl)-5-nitro-2-[(2Z)-2-(1-pyridin-3-ylethylidene)hydrazinyl]benzenesulfonamide
CID 6080364
N-(4-chlorophenyl)-4-[2-(1-naphthalen-2-ylethylidene)hydrazinyl]-3-nitrobenzenesulfonamide
CID 5144698
N-(4-chlorophenyl)-5-nitro-2-[2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzenesulfonamide
CID 4289147

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(2Z)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(2Z)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide (CID 135874286) is N-(4-chlorophenyl)-2-[(2Z)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(2Z)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(2Z)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide is C/C(=N/Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1)c1ccc(O)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[(2Z)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide?
The InChIKey is FKGBUNMZMOBZBP-XKZIYDEJSA-N. The full InChI is InChI=1S/C20H17ClN4O5S/c1-13(14-2-9-18(26)10-3-14)22-23-19-11-8-17(25(27)28)12-20(19)31(29,30)24-16-6-4-15(21)5-7-16/h2-12,23-24,26H,1H3/b22-13-.
What are the key properties of N-(4-chlorophenyl)-2-[(2Z)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide?
N-(4-chlorophenyl)-2-[(2Z)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide has a molecular weight of 460.90 g/mol, XLogP of 4.59, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[(2Z)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide is sourced from PubChem (CID 135874286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).