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

C17H17N5O7S — CID 3910260

IUPAC2-morpholin-4-ylsulfonyl-4-nitro-N-[(2-nitrophenyl)methylideneamino]aniline
SMILESO=[N+]([O-])c1ccc(NN=Cc2ccccc2[N+](=O)[O-])c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H17N5O7S/c23-21(24)14-5-6-15(17(11-14)30(27,28)20-7-9-29-10-8-20)19-18-12-13-3-1-2-4-16(13)22(25)26/h1-6,11-12,19H,7-10H2
InChIKeyAOYSYQWSZKFDKI-UHFFFAOYSA-N
MW435.42 g/mol
LogP1.97
Rot. Bonds7

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

2-morpholin-4-ylsulfonyl-4-nitro-N-[(2-nitrophenyl)methylideneamino]aniline (PubChem CID 3910260) has the molecular formula C17H17N5O7S and a molecular weight of 435.42 g/mol. Its IUPAC name is 2-morpholin-4-ylsulfonyl-4-nitro-N-[(2-nitrophenyl)methylideneamino]aniline.

Molecular Properties

Compound Name2-morpholin-4-ylsulfonyl-4-nitro-N-[(2-nitrophenyl)methylideneamino]aniline
PubChem CID3910260
Molecular FormulaC17H17N5O7S
Molecular Weight435.42 g/mol
Exact Mass435.08
IUPAC Name2-morpholin-4-ylsulfonyl-4-nitro-N-[(2-nitrophenyl)methylideneamino]aniline
SMILESO=[N+]([O-])c1ccc(NN=Cc2ccccc2[N+](=O)[O-])c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H17N5O7S/c23-21(24)14-5-6-15(17(11-14)30(27,28)20-7-9-29-10-8-20)19-18-12-13-3-1-2-4-16(13)22(25)26/h1-6,11-12,19H,7-10H2
InChIKeyAOYSYQWSZKFDKI-UHFFFAOYSA-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

2-[(E)-[(2-morpholin-4-ylsulfonyl-4-nitrophenyl)hydrazinylidene]methyl]phenol
CID 135678967
N-(benzylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 5176460
N-[(3,4-dichlorophenyl)methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 3310986
2-[(Z)-[[2-(azepan-1-ylsulfonyl)-4-nitrophenyl]hydrazinylidene]methyl]phenol
CID 137172687
2-morpholin-4-ylsulfonyl-4-nitro-N-[(E)-thiophen-3-ylmethylideneamino]aniline
CID 42995165
4-methoxy-2-[[(2-morpholin-4-ylsulfonyl-4-nitrophenyl)hydrazinylidene]methyl]phenol
CID 3464213
N-[(4-ethylphenyl)methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 3320010
2-morpholin-4-ylsulfonyl-4-nitro-N-[(3,4,5-trimethoxyphenyl)methylideneamino]aniline
CID 4285928
4-morpholin-4-ylsulfonyl-2-nitro-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline
CID 6105790
N-(1,3-diphenylpropan-2-ylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 4073107
2-[(Z)-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4-nitrophenyl]hydrazinylidene]methyl]phenol
CID 137172669
N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 9078098

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylsulfonyl-4-nitro-N-[(2-nitrophenyl)methylideneamino]aniline?
The IUPAC name of 2-morpholin-4-ylsulfonyl-4-nitro-N-[(2-nitrophenyl)methylideneamino]aniline (CID 3910260) is 2-morpholin-4-ylsulfonyl-4-nitro-N-[(2-nitrophenyl)methylideneamino]aniline.
What is the SMILES notation for 2-morpholin-4-ylsulfonyl-4-nitro-N-[(2-nitrophenyl)methylideneamino]aniline?
The canonical SMILES for 2-morpholin-4-ylsulfonyl-4-nitro-N-[(2-nitrophenyl)methylideneamino]aniline is O=[N+]([O-])c1ccc(NN=Cc2ccccc2[N+](=O)[O-])c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 2-morpholin-4-ylsulfonyl-4-nitro-N-[(2-nitrophenyl)methylideneamino]aniline?
The InChIKey is AOYSYQWSZKFDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O7S/c23-21(24)14-5-6-15(17(11-14)30(27,28)20-7-9-29-10-8-20)19-18-12-13-3-1-2-4-16(13)22(25)26/h1-6,11-12,19H,7-10H2.
What are the key properties of 2-morpholin-4-ylsulfonyl-4-nitro-N-[(2-nitrophenyl)methylideneamino]aniline?
2-morpholin-4-ylsulfonyl-4-nitro-N-[(2-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 2-morpholin-4-ylsulfonyl-4-nitro-N-[(2-nitrophenyl)methylideneamino]aniline is sourced from PubChem (CID 3910260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).