4-morpholin-4-ylsulfonyl-2-nitro-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline

C17H17N5O7S — CID 6105790

IUPAC4-morpholin-4-ylsulfonyl-2-nitro-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline
SMILESO=[N+]([O-])c1ccc(/C=N\Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C17H17N5O7S/c23-21(24)14-3-1-13(2-4-14)12-18-19-16-6-5-15(11-17(16)22(25)26)30(27,28)20-7-9-29-10-8-20/h1-6,11-12,19H,7-10H2/b18-12-
InChIKeyVDPNUNZOZMSOPA-PDGQHHTCSA-N
MW435.42 g/mol
LogP1.97
Rot. Bonds7

About 4-morpholin-4-ylsulfonyl-2-nitro-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline

4-morpholin-4-ylsulfonyl-2-nitro-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline (PubChem CID 6105790) has the molecular formula C17H17N5O7S and a molecular weight of 435.42 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-2-nitro-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-2-nitro-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline
PubChem CID6105790
Molecular FormulaC17H17N5O7S
Molecular Weight435.42 g/mol
Exact Mass435.08
IUPAC Name4-morpholin-4-ylsulfonyl-2-nitro-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline
SMILESO=[N+]([O-])c1ccc(/C=N\Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C17H17N5O7S/c23-21(24)14-3-1-13(2-4-14)12-18-19-16-6-5-15(11-17(16)22(25)26)30(27,28)20-7-9-29-10-8-20/h1-6,11-12,19H,7-10H2/b18-12-
InChIKeyVDPNUNZOZMSOPA-PDGQHHTCSA-N
XLogP1.97
TPSA157.28 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.42
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

4-[(Z)-[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)hydrazinylidene]methyl]benzoic acid
CID 6057612
N-[(4-methoxyphenyl)methylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 5059307
N-[(4-morpholin-4-ylphenyl)methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline
CID 4106283
N-[(Z)-(3-bromophenyl)methylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 6073543
N-[(2,6-dichlorophenyl)methylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 5113890
4-morpholin-4-ylsulfonyl-2-nitro-N-(thiophen-2-ylmethylideneamino)aniline
CID 5098433
N-[(E)-furan-2-ylmethylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 42991051
4-morpholin-4-ylsulfonyl-2-nitro-N-[(3-phenoxyphenyl)methylideneamino]aniline
CID 3561971
N-[(2,4-dimethylphenyl)methylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 5029807
N-(benzylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 5176460
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline
CID 9014297
N-[(E)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2,4-dinitroaniline
CID 126011066

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-2-nitro-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline?
The IUPAC name of 4-morpholin-4-ylsulfonyl-2-nitro-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline (CID 6105790) is 4-morpholin-4-ylsulfonyl-2-nitro-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-2-nitro-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-2-nitro-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline is O=[N+]([O-])c1ccc(/C=N\Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1.
What is the InChIKey of 4-morpholin-4-ylsulfonyl-2-nitro-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline?
The InChIKey is VDPNUNZOZMSOPA-PDGQHHTCSA-N. The full InChI is InChI=1S/C17H17N5O7S/c23-21(24)14-3-1-13(2-4-14)12-18-19-16-6-5-15(11-17(16)22(25)26)30(27,28)20-7-9-29-10-8-20/h1-6,11-12,19H,7-10H2/b18-12-.
What are the key properties of 4-morpholin-4-ylsulfonyl-2-nitro-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline?
4-morpholin-4-ylsulfonyl-2-nitro-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline has a molecular weight of 435.42 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonyl-2-nitro-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline is sourced from PubChem (CID 6105790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).