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

C18H19FN4O5S — CID 3250770

IUPACN-[1-(2-fluorophenyl)ethylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline
SMILESCC(=NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1ccccc1F
InChIInChI=1S/C18H19FN4O5S/c1-13(15-4-2-3-5-16(15)19)20-21-17-7-6-14(23(24)25)12-18(17)29(26,27)22-8-10-28-11-9-22/h2-7,12,21H,8-11H2,1H3
InChIKeyUKILFRNQGKELHR-UHFFFAOYSA-N
MW422.44 g/mol
LogP2.59
Rot. Bonds6

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

N-[1-(2-fluorophenyl)ethylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline (PubChem CID 3250770) has the molecular formula C18H19FN4O5S and a molecular weight of 422.44 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline
PubChem CID3250770
Molecular FormulaC18H19FN4O5S
Molecular Weight422.44 g/mol
Exact Mass422.11
IUPAC NameN-[1-(2-fluorophenyl)ethylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline
SMILESCC(=NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1ccccc1F
InChIInChI=1S/C18H19FN4O5S/c1-13(15-4-2-3-5-16(15)19)20-21-17-7-6-14(23(24)25)12-18(17)29(26,27)22-8-10-28-11-9-22/h2-7,12,21H,8-11H2,1H3
InChIKeyUKILFRNQGKELHR-UHFFFAOYSA-N
XLogP2.59
TPSA114.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 52.59
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'}

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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
N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 3263579
N-(1,3-diphenylpropan-2-ylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 4073107
N-(benzylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 5176460
2-[(E)-[(2-morpholin-4-ylsulfonyl-4-nitrophenyl)hydrazinylidene]methyl]phenol
CID 135678967
2-morpholin-4-ylsulfonyl-4-nitro-N-[(2-nitrophenyl)methylideneamino]aniline
CID 3910260
N-(2,3-dihydroinden-1-ylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 3633570
N-[[(2S,6S)-2,6-dimethylcyclohexylidene]amino]-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 9078080
N-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 9078082
N-[(1R)-2-methyl-1-phenylpropyl]-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 25386671
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 25386677

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline?
The IUPAC name of N-[1-(2-fluorophenyl)ethylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline (CID 3250770) is N-[1-(2-fluorophenyl)ethylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline?
The canonical SMILES for N-[1-(2-fluorophenyl)ethylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline is CC(=NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)ethylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline?
The InChIKey is UKILFRNQGKELHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O5S/c1-13(15-4-2-3-5-16(15)19)20-21-17-7-6-14(23(24)25)12-18(17)29(26,27)22-8-10-28-11-9-22/h2-7,12,21H,8-11H2,1H3.
What are the key properties of N-[1-(2-fluorophenyl)ethylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline?
N-[1-(2-fluorophenyl)ethylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline has a molecular weight of 422.44 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline is sourced from PubChem (CID 3250770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).