4-morpholin-4-ylsulfonyl-2-nitro-N-[(3-phenoxyphenyl)methylideneamino]aniline

C23H22N4O6S — CID 3561971

IUPAC4-morpholin-4-ylsulfonyl-2-nitro-N-[(3-phenoxyphenyl)methylideneamino]aniline
SMILESO=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NN=Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C23H22N4O6S/c28-27(29)23-16-21(34(30,31)26-11-13-32-14-12-26)9-10-22(23)25-24-17-18-5-4-8-20(15-18)33-19-6-2-1-3-7-19/h1-10,15-17,25H,11-14H2
InChIKeyLDPQTGHRPDEUDH-UHFFFAOYSA-N
MW482.52 g/mol
LogP3.85
Rot. Bonds8

About 4-morpholin-4-ylsulfonyl-2-nitro-N-[(3-phenoxyphenyl)methylideneamino]aniline

4-morpholin-4-ylsulfonyl-2-nitro-N-[(3-phenoxyphenyl)methylideneamino]aniline (PubChem CID 3561971) has the molecular formula C23H22N4O6S and a molecular weight of 482.52 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-2-nitro-N-[(3-phenoxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-2-nitro-N-[(3-phenoxyphenyl)methylideneamino]aniline
PubChem CID3561971
Molecular FormulaC23H22N4O6S
Molecular Weight482.52 g/mol
Exact Mass482.13
IUPAC Name4-morpholin-4-ylsulfonyl-2-nitro-N-[(3-phenoxyphenyl)methylideneamino]aniline
SMILESO=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NN=Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C23H22N4O6S/c28-27(29)23-16-21(34(30,31)26-11-13-32-14-12-26)9-10-22(23)25-24-17-18-5-4-8-20(15-18)33-19-6-2-1-3-7-19/h1-10,15-17,25H,11-14H2
InChIKeyLDPQTGHRPDEUDH-UHFFFAOYSA-N
XLogP3.85
TPSA123.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.52
LogP ≤ 53.85
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

N-[(Z)-(3-bromophenyl)methylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 6073543
N-[(4-methoxyphenyl)methylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 5059307
4-morpholin-4-ylsulfonyl-2-nitro-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline
CID 6105790
N-[(2,6-dichlorophenyl)methylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 5113890
4-[(Z)-[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)hydrazinylidene]methyl]benzoic acid
CID 6057612
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
N-[(4-morpholin-4-ylphenyl)methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline
CID 4106283
4-morpholin-4-ylsulfonyl-2-nitro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]aniline
CID 7420245
1-[(E)-[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)hydrazinylidene]methyl]naphthalen-2-ol
CID 135716394
N-[(2,4-dimethylphenyl)methylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 5029807
2-nitro-N-(pyridin-3-ylmethylideneamino)-4-pyrrolidin-1-ylsulfonylaniline
CID 3469162

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-2-nitro-N-[(3-phenoxyphenyl)methylideneamino]aniline?
The IUPAC name of 4-morpholin-4-ylsulfonyl-2-nitro-N-[(3-phenoxyphenyl)methylideneamino]aniline (CID 3561971) is 4-morpholin-4-ylsulfonyl-2-nitro-N-[(3-phenoxyphenyl)methylideneamino]aniline.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-2-nitro-N-[(3-phenoxyphenyl)methylideneamino]aniline?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-2-nitro-N-[(3-phenoxyphenyl)methylideneamino]aniline is O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NN=Cc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 4-morpholin-4-ylsulfonyl-2-nitro-N-[(3-phenoxyphenyl)methylideneamino]aniline?
The InChIKey is LDPQTGHRPDEUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O6S/c28-27(29)23-16-21(34(30,31)26-11-13-32-14-12-26)9-10-22(23)25-24-17-18-5-4-8-20(15-18)33-19-6-2-1-3-7-19/h1-10,15-17,25H,11-14H2.
What are the key properties of 4-morpholin-4-ylsulfonyl-2-nitro-N-[(3-phenoxyphenyl)methylideneamino]aniline?
4-morpholin-4-ylsulfonyl-2-nitro-N-[(3-phenoxyphenyl)methylideneamino]aniline has a molecular weight of 482.52 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonyl-2-nitro-N-[(3-phenoxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 3561971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).