4-methoxy-2-[[(2-morpholin-4-ylsulfonyl-4-nitrophenyl)hydrazinylidene]methyl]phenol

C18H20N4O7S — CID 3464213

IUPAC4-methoxy-2-[[(2-morpholin-4-ylsulfonyl-4-nitrophenyl)hydrazinylidene]methyl]phenol
SMILESCOc1ccc(O)c(C=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H20N4O7S/c1-28-15-3-5-17(23)13(10-15)12-19-20-16-4-2-14(22(24)25)11-18(16)30(26,27)21-6-8-29-9-7-21/h2-5,10-12,20,23H,6-9H2,1H3
InChIKeyIIFCHAVYUJPGPX-UHFFFAOYSA-N
MW436.45 g/mol
LogP1.78
Rot. Bonds7

About 4-methoxy-2-[[(2-morpholin-4-ylsulfonyl-4-nitrophenyl)hydrazinylidene]methyl]phenol

4-methoxy-2-[[(2-morpholin-4-ylsulfonyl-4-nitrophenyl)hydrazinylidene]methyl]phenol (PubChem CID 3464213) has the molecular formula C18H20N4O7S and a molecular weight of 436.45 g/mol. Its IUPAC name is 4-methoxy-2-[[(2-morpholin-4-ylsulfonyl-4-nitrophenyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[[(2-morpholin-4-ylsulfonyl-4-nitrophenyl)hydrazinylidene]methyl]phenol
PubChem CID3464213
Molecular FormulaC18H20N4O7S
Molecular Weight436.45 g/mol
Exact Mass436.11
IUPAC Name4-methoxy-2-[[(2-morpholin-4-ylsulfonyl-4-nitrophenyl)hydrazinylidene]methyl]phenol
SMILESCOc1ccc(O)c(C=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H20N4O7S/c1-28-15-3-5-17(23)13(10-15)12-19-20-16-4-2-14(22(24)25)11-18(16)30(26,27)21-6-8-29-9-7-21/h2-5,10-12,20,23H,6-9H2,1H3
InChIKeyIIFCHAVYUJPGPX-UHFFFAOYSA-N
XLogP1.78
TPSA143.60 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.45
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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
2-morpholin-4-ylsulfonyl-4-nitro-N-[(2-nitrophenyl)methylideneamino]aniline
CID 3910260
2-morpholin-4-ylsulfonyl-4-nitro-N-[(3,4,5-trimethoxyphenyl)methylideneamino]aniline
CID 4285928
N-(benzylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 5176460
2-[(Z)-[[2-(azepan-1-ylsulfonyl)-4-nitrophenyl]hydrazinylidene]methyl]phenol
CID 137172687
4-methoxy-2-[[(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)hydrazinylidene]methyl]phenol
CID 4251644
2-morpholin-4-ylsulfonyl-4-nitro-N-[(E)-thiophen-3-ylmethylideneamino]aniline
CID 42995165
N-[(4-ethylphenyl)methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 3320010
N-[(3,4-dichlorophenyl)methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 3310986
methyl 4-[[4-[(Z)-[(2-morpholin-4-ylsulfonyl-4-nitrophenyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 6512634
2-[(Z)-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4-nitrophenyl]hydrazinylidene]methyl]phenol
CID 137172669
2-methoxy-5-(2-morpholin-4-ylsulfonyl-4-nitroanilino)phenol
CID 24507995

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[(2-morpholin-4-ylsulfonyl-4-nitrophenyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-methoxy-2-[[(2-morpholin-4-ylsulfonyl-4-nitrophenyl)hydrazinylidene]methyl]phenol (CID 3464213) is 4-methoxy-2-[[(2-morpholin-4-ylsulfonyl-4-nitrophenyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-methoxy-2-[[(2-morpholin-4-ylsulfonyl-4-nitrophenyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-methoxy-2-[[(2-morpholin-4-ylsulfonyl-4-nitrophenyl)hydrazinylidene]methyl]phenol is COc1ccc(O)c(C=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-methoxy-2-[[(2-morpholin-4-ylsulfonyl-4-nitrophenyl)hydrazinylidene]methyl]phenol?
The InChIKey is IIFCHAVYUJPGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O7S/c1-28-15-3-5-17(23)13(10-15)12-19-20-16-4-2-14(22(24)25)11-18(16)30(26,27)21-6-8-29-9-7-21/h2-5,10-12,20,23H,6-9H2,1H3.
What are the key properties of 4-methoxy-2-[[(2-morpholin-4-ylsulfonyl-4-nitrophenyl)hydrazinylidene]methyl]phenol?
4-methoxy-2-[[(2-morpholin-4-ylsulfonyl-4-nitrophenyl)hydrazinylidene]methyl]phenol has a molecular weight of 436.45 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[(2-morpholin-4-ylsulfonyl-4-nitrophenyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 3464213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).