2-morpholin-4-ylsulfonyl-4-nitro-N-(1-pyridin-4-ylethylideneamino)aniline

C17H19N5O5S — CID 4239689

IUPAC2-morpholin-4-ylsulfonyl-4-nitro-N-(1-pyridin-4-ylethylideneamino)aniline
SMILESCC(=NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1ccncc1
InChIInChI=1S/C17H19N5O5S/c1-13(14-4-6-18-7-5-14)19-20-16-3-2-15(22(23)24)12-17(16)28(25,26)21-8-10-27-11-9-21/h2-7,12,20H,8-11H2,1H3
InChIKeyLYIGQZFYWRQJKP-UHFFFAOYSA-N
MW405.44 g/mol
LogP1.85
Rot. Bonds6

About 2-morpholin-4-ylsulfonyl-4-nitro-N-(1-pyridin-4-ylethylideneamino)aniline

2-morpholin-4-ylsulfonyl-4-nitro-N-(1-pyridin-4-ylethylideneamino)aniline (PubChem CID 4239689) has the molecular formula C17H19N5O5S and a molecular weight of 405.44 g/mol. Its IUPAC name is 2-morpholin-4-ylsulfonyl-4-nitro-N-(1-pyridin-4-ylethylideneamino)aniline.

Molecular Properties

Compound Name2-morpholin-4-ylsulfonyl-4-nitro-N-(1-pyridin-4-ylethylideneamino)aniline
PubChem CID4239689
Molecular FormulaC17H19N5O5S
Molecular Weight405.44 g/mol
Exact Mass405.11
IUPAC Name2-morpholin-4-ylsulfonyl-4-nitro-N-(1-pyridin-4-ylethylideneamino)aniline
SMILESCC(=NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1ccncc1
InChIInChI=1S/C17H19N5O5S/c1-13(14-4-6-18-7-5-14)19-20-16-3-2-15(22(23)24)12-17(16)28(25,26)21-8-10-27-11-9-21/h2-7,12,20H,8-11H2,1H3
InChIKeyLYIGQZFYWRQJKP-UHFFFAOYSA-N
XLogP1.85
TPSA127.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.44
LogP ≤ 51.85
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'}

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Related Compounds

2-morpholin-4-ylsulfonyl-4-nitro-N-[(Z)-1-pyridin-4-ylethylideneamino]aniline
CID 6045628
N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 3263579
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
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
N-(benzylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 5176460
N-[(3,4-dichlorophenyl)methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 3310986
2-[(E)-[(2-morpholin-4-ylsulfonyl-4-nitrophenyl)hydrazinylidene]methyl]phenol
CID 135678967
N-[(E)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 93057868
4-morpholin-4-ylsulfonyl-2-nitro-N-[1-(4-phenylphenyl)ethylideneamino]aniline
CID 3954704

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylsulfonyl-4-nitro-N-(1-pyridin-4-ylethylideneamino)aniline?
The IUPAC name of 2-morpholin-4-ylsulfonyl-4-nitro-N-(1-pyridin-4-ylethylideneamino)aniline (CID 4239689) is 2-morpholin-4-ylsulfonyl-4-nitro-N-(1-pyridin-4-ylethylideneamino)aniline.
What is the SMILES notation for 2-morpholin-4-ylsulfonyl-4-nitro-N-(1-pyridin-4-ylethylideneamino)aniline?
The canonical SMILES for 2-morpholin-4-ylsulfonyl-4-nitro-N-(1-pyridin-4-ylethylideneamino)aniline is CC(=NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1ccncc1.
What is the InChIKey of 2-morpholin-4-ylsulfonyl-4-nitro-N-(1-pyridin-4-ylethylideneamino)aniline?
The InChIKey is LYIGQZFYWRQJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O5S/c1-13(14-4-6-18-7-5-14)19-20-16-3-2-15(22(23)24)12-17(16)28(25,26)21-8-10-27-11-9-21/h2-7,12,20H,8-11H2,1H3.
What are the key properties of 2-morpholin-4-ylsulfonyl-4-nitro-N-(1-pyridin-4-ylethylideneamino)aniline?
2-morpholin-4-ylsulfonyl-4-nitro-N-(1-pyridin-4-ylethylideneamino)aniline has a molecular weight of 405.44 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylsulfonyl-4-nitro-N-(1-pyridin-4-ylethylideneamino)aniline is sourced from PubChem (CID 4239689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).