N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline

C19H20F2N4O6S — CID 3263579

IUPACN-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline
SMILESCC(=NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H20F2N4O6S/c1-13(14-2-5-16(6-3-14)31-19(20)21)22-23-17-7-4-15(25(26)27)12-18(17)32(28,29)24-8-10-30-11-9-24/h2-7,12,19,23H,8-11H2,1H3
InChIKeyINQPPCWRQYZRMQ-UHFFFAOYSA-N
MW470.45 g/mol
LogP3.05
Rot. Bonds8

About N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline

N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline (PubChem CID 3263579) has the molecular formula C19H20F2N4O6S and a molecular weight of 470.45 g/mol. Its IUPAC name is N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline.

Molecular Properties

Compound NameN-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline
PubChem CID3263579
Molecular FormulaC19H20F2N4O6S
Molecular Weight470.45 g/mol
Exact Mass470.11
IUPAC NameN-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline
SMILESCC(=NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H20F2N4O6S/c1-13(14-2-5-16(6-3-14)31-19(20)21)22-23-17-7-4-15(25(26)27)12-18(17)32(28,29)24-8-10-30-11-9-24/h2-7,12,19,23H,8-11H2,1H3
InChIKeyINQPPCWRQYZRMQ-UHFFFAOYSA-N
XLogP3.05
TPSA123.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
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 N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline 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

2-morpholin-4-ylsulfonyl-4-nitro-N-[(Z)-1-pyridin-4-ylethylideneamino]aniline
CID 6045628
2-morpholin-4-ylsulfonyl-4-nitro-N-(1-pyridin-4-ylethylideneamino)aniline
CID 4239689
2-[2-[1-[4-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-N,N-diethyl-5-nitrobenzenesulfonamide
CID 3976552
N-[1-(2-fluorophenyl)ethylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 3250770
N-(1,3-diphenylpropan-2-ylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 4073107
N-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-2,4-dinitroaniline
CID 5035188
4-methoxy-2-[[(2-morpholin-4-ylsulfonyl-4-nitrophenyl)hydrazinylidene]methyl]phenol
CID 3464213
4-[(2Z)-2-[1-[4-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 6071909
4-morpholin-4-ylsulfonyl-2-nitro-N-[1-(4-phenylphenyl)ethylideneamino]aniline
CID 3954704
methyl 4-[[4-[(Z)-[(2-morpholin-4-ylsulfonyl-4-nitrophenyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 6512634
N-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 9078082
N-[[(2S,6S)-2,6-dimethylcyclohexylidene]amino]-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 9078080

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline?
The IUPAC name of N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline (CID 3263579) is N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline.
What is the SMILES notation for N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline?
The canonical SMILES for N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline is CC(=NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline?
The InChIKey is INQPPCWRQYZRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O6S/c1-13(14-2-5-16(6-3-14)31-19(20)21)22-23-17-7-4-15(25(26)27)12-18(17)32(28,29)24-8-10-30-11-9-24/h2-7,12,19,23H,8-11H2,1H3.
What are the key properties of N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline?
N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline has a molecular weight of 470.45 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline is sourced from PubChem (CID 3263579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).