2-[2-[1-[4-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-N,N-diethyl-5-nitrobenzenesulfonamide

C19H22F2N4O5S — CID 3976552

IUPAC2-[2-[1-[4-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-N,N-diethyl-5-nitrobenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN=C(C)c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H22F2N4O5S/c1-4-24(5-2)31(28,29)18-12-15(25(26)27)8-11-17(18)23-22-13(3)14-6-9-16(10-7-14)30-19(20)21/h6-12,19,23H,4-5H2,1-3H3
InChIKeyFLBFVGLWNMDGHJ-UHFFFAOYSA-N
MW456.47 g/mol
LogP4.06
Rot. Bonds10

About 2-[2-[1-[4-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-N,N-diethyl-5-nitrobenzenesulfonamide

2-[2-[1-[4-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-N,N-diethyl-5-nitrobenzenesulfonamide (PubChem CID 3976552) has the molecular formula C19H22F2N4O5S and a molecular weight of 456.47 g/mol. Its IUPAC name is 2-[2-[1-[4-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-N,N-diethyl-5-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-[2-[1-[4-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-N,N-diethyl-5-nitrobenzenesulfonamide
PubChem CID3976552
Molecular FormulaC19H22F2N4O5S
Molecular Weight456.47 g/mol
Exact Mass456.13
IUPAC Name2-[2-[1-[4-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-N,N-diethyl-5-nitrobenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN=C(C)c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H22F2N4O5S/c1-4-24(5-2)31(28,29)18-12-15(25(26)27)8-11-17(18)23-22-13(3)14-6-9-16(10-7-14)30-19(20)21/h6-12,19,23H,4-5H2,1-3H3
InChIKeyFLBFVGLWNMDGHJ-UHFFFAOYSA-N
XLogP4.06
TPSA114.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 2-[2-[1-[4-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-N,N-diethyl-5-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,N-diethyl-2-[(2E)-2-[1-(3-fluorophenyl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide
CID 18285480
N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 3263579
N,N-diethyl-5-nitro-2-[(2E)-2-[1-(3,4,5-trimethoxyphenyl)ethylidene]hydrazinyl]benzenesulfonamide
CID 46803816
N,N-diethyl-2-[2-(3-methylbutan-2-ylidene)hydrazinyl]-5-nitrobenzenesulfonamide
CID 3265432
N,N-diethyl-2-[(2Z)-2-[(3R)-3-methylpentan-2-ylidene]hydrazinyl]-5-nitrobenzenesulfonamide
CID 9060854
N,N-diethyl-2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide
CID 5176935
4-[(2Z)-2-[1-[4-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 6071909
2-[(2Z)-2-[1-[4-(difluoromethoxy)phenyl]propylidene]hydrazinyl]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 6517103
N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-nitro-4-(trifluoromethyl)aniline
CID 3949220
N,N-diethyl-5-nitro-2-(propylamino)benzenesulfonamide
CID 60634187
N-[4-[(E)-[[2-(diethylsulfamoyl)-4-nitrophenyl]hydrazinylidene]methyl]phenyl]acetamide
CID 42991076
N,N-diethyl-2-[2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide
CID 3391598

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-[4-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-N,N-diethyl-5-nitrobenzenesulfonamide?
The IUPAC name of 2-[2-[1-[4-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-N,N-diethyl-5-nitrobenzenesulfonamide (CID 3976552) is 2-[2-[1-[4-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-N,N-diethyl-5-nitrobenzenesulfonamide.
What is the SMILES notation for 2-[2-[1-[4-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-N,N-diethyl-5-nitrobenzenesulfonamide?
The canonical SMILES for 2-[2-[1-[4-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-N,N-diethyl-5-nitrobenzenesulfonamide is CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN=C(C)c1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[2-[1-[4-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-N,N-diethyl-5-nitrobenzenesulfonamide?
The InChIKey is FLBFVGLWNMDGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O5S/c1-4-24(5-2)31(28,29)18-12-15(25(26)27)8-11-17(18)23-22-13(3)14-6-9-16(10-7-14)30-19(20)21/h6-12,19,23H,4-5H2,1-3H3.
What are the key properties of 2-[2-[1-[4-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-N,N-diethyl-5-nitrobenzenesulfonamide?
2-[2-[1-[4-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-N,N-diethyl-5-nitrobenzenesulfonamide has a molecular weight of 456.47 g/mol, XLogP of 4.06, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-[4-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-N,N-diethyl-5-nitrobenzenesulfonamide is sourced from PubChem (CID 3976552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).