4-[2-[[2,4-bis(difluoromethoxy)phenyl]methylidene]hydrazinyl]-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide

C21H15ClF4N4O6S — CID 5203946

IUPAC4-[2-[[2,4-bis(difluoromethoxy)phenyl]methylidene]hydrazinyl]-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1NN=Cc1ccc(OC(F)F)cc1OC(F)F
InChIInChI=1S/C21H15ClF4N4O6S/c22-13-2-4-14(5-3-13)29-37(33,34)16-7-8-17(18(10-16)30(31)32)28-27-11-12-1-6-15(35-20(23)24)9-19(12)36-21(25)26/h1-11,20-21,28-29H
InChIKeyJMJSFDXRAFUXQU-UHFFFAOYSA-N
MW562.89 g/mol
LogP5.70
Rot. Bonds11

About 4-[2-[[2,4-bis(difluoromethoxy)phenyl]methylidene]hydrazinyl]-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide

4-[2-[[2,4-bis(difluoromethoxy)phenyl]methylidene]hydrazinyl]-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide (PubChem CID 5203946) has the molecular formula C21H15ClF4N4O6S and a molecular weight of 562.89 g/mol. Its IUPAC name is 4-[2-[[2,4-bis(difluoromethoxy)phenyl]methylidene]hydrazinyl]-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-[2-[[2,4-bis(difluoromethoxy)phenyl]methylidene]hydrazinyl]-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide
PubChem CID5203946
Molecular FormulaC21H15ClF4N4O6S
Molecular Weight562.89 g/mol
Exact Mass562.03
IUPAC Name4-[2-[[2,4-bis(difluoromethoxy)phenyl]methylidene]hydrazinyl]-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1NN=Cc1ccc(OC(F)F)cc1OC(F)F
InChIInChI=1S/C21H15ClF4N4O6S/c22-13-2-4-14(5-3-13)29-37(33,34)16-7-8-17(18(10-16)30(31)32)28-27-11-12-1-6-15(35-20(23)24)9-19(12)36-21(25)26/h1-11,20-21,28-29H
InChIKeyJMJSFDXRAFUXQU-UHFFFAOYSA-N
XLogP5.70
TPSA132.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.89
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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'}

Analyze 4-[2-[[2,4-bis(difluoromethoxy)phenyl]methylidene]hydrazinyl]-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chlorophenyl)-3-nitro-4-[2-[(2,4,6-trimethoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 5201000
4-[(2Z)-2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 6279235
N-(4-chlorophenyl)-4-[(2E)-2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 135679343
4-[(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 6281117
N-(4-chlorophenyl)-4-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 135932742
N-(4-methoxyphenyl)-4-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 6153192
N-[[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-3-[(3-chlorophenyl)sulfamoyl]benzamide
CID 2435500
N-(3-chlorophenyl)-4-[2-[(2-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 3311148
3-chloro-N-[4-(difluoromethoxy)phenyl]-4-methyl-5-nitrobenzenesulfonamide
CID 8514887
N-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline
CID 3545191
4-[2-[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylidene]hydrazinyl]-N-(4-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 4016234
4-(2-benzylidenehydrazinyl)-N-(3-chlorophenyl)-3-nitrobenzenesulfonamide
CID 5237290

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2,4-bis(difluoromethoxy)phenyl]methylidene]hydrazinyl]-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide?
The IUPAC name of 4-[2-[[2,4-bis(difluoromethoxy)phenyl]methylidene]hydrazinyl]-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide (CID 5203946) is 4-[2-[[2,4-bis(difluoromethoxy)phenyl]methylidene]hydrazinyl]-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide.
What is the SMILES notation for 4-[2-[[2,4-bis(difluoromethoxy)phenyl]methylidene]hydrazinyl]-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide?
The canonical SMILES for 4-[2-[[2,4-bis(difluoromethoxy)phenyl]methylidene]hydrazinyl]-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide is O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1NN=Cc1ccc(OC(F)F)cc1OC(F)F.
What is the InChIKey of 4-[2-[[2,4-bis(difluoromethoxy)phenyl]methylidene]hydrazinyl]-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide?
The InChIKey is JMJSFDXRAFUXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF4N4O6S/c22-13-2-4-14(5-3-13)29-37(33,34)16-7-8-17(18(10-16)30(31)32)28-27-11-12-1-6-15(35-20(23)24)9-19(12)36-21(25)26/h1-11,20-21,28-29H.
What are the key properties of 4-[2-[[2,4-bis(difluoromethoxy)phenyl]methylidene]hydrazinyl]-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide?
4-[2-[[2,4-bis(difluoromethoxy)phenyl]methylidene]hydrazinyl]-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide has a molecular weight of 562.89 g/mol, XLogP of 5.70, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2,4-bis(difluoromethoxy)phenyl]methylidene]hydrazinyl]-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide is sourced from PubChem (CID 5203946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).