2-methoxy-5-(2-morpholin-4-ylsulfonyl-4-nitroanilino)phenol

C17H19N3O7S — CID 24507995

IUPAC2-methoxy-5-(2-morpholin-4-ylsulfonyl-4-nitroanilino)phenol
SMILESCOc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)cc1O
InChIInChI=1S/C17H19N3O7S/c1-26-16-5-2-12(10-15(16)21)18-14-4-3-13(20(22)23)11-17(14)28(24,25)19-6-8-27-9-7-19/h2-5,10-11,18,21H,6-9H2,1H3
InChIKeyWEAGNNVPIZMFDP-UHFFFAOYSA-N
MW409.42 g/mol
LogP2.07
Rot. Bonds6

About 2-methoxy-5-(2-morpholin-4-ylsulfonyl-4-nitroanilino)phenol

2-methoxy-5-(2-morpholin-4-ylsulfonyl-4-nitroanilino)phenol (PubChem CID 24507995) has the molecular formula C17H19N3O7S and a molecular weight of 409.42 g/mol. Its IUPAC name is 2-methoxy-5-(2-morpholin-4-ylsulfonyl-4-nitroanilino)phenol.

Molecular Properties

Compound Name2-methoxy-5-(2-morpholin-4-ylsulfonyl-4-nitroanilino)phenol
PubChem CID24507995
Molecular FormulaC17H19N3O7S
Molecular Weight409.42 g/mol
Exact Mass409.09
IUPAC Name2-methoxy-5-(2-morpholin-4-ylsulfonyl-4-nitroanilino)phenol
SMILESCOc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)cc1O
InChIInChI=1S/C17H19N3O7S/c1-26-16-5-2-12(10-15(16)21)18-14-4-3-13(20(22)23)11-17(14)28(24,25)19-6-8-27-9-7-19/h2-5,10-11,18,21H,6-9H2,1H3
InChIKeyWEAGNNVPIZMFDP-UHFFFAOYSA-N
XLogP2.07
TPSA131.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'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-[(3,4,5-trimethoxyphenyl)methylideneamino]aniline
CID 4285928
4-methoxy-2-[[(2-morpholin-4-ylsulfonyl-4-nitrophenyl)hydrazinylidene]methyl]phenol
CID 3464213
2-[(E)-[(2-morpholin-4-ylsulfonyl-4-nitrophenyl)hydrazinylidene]methyl]phenol
CID 135678967
N-(4-methylphenyl)-4-nitro-2-pyrrolidin-1-ylsulfonylaniline
CID 18095005
4-[2-(3-methoxyphenoxy)-5-nitrophenyl]sulfonylmorpholine
CID 4225229
3-methoxy-4-(2-morpholin-4-ylsulfonyl-4-nitrophenoxy)benzaldehyde
CID 24507826
N-(benzylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 5176460
N-(4-methylcyclohexyl)-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 46797878
2,2,6,6-tetramethyl-N-(2-morpholin-4-ylsulfonyl-4-nitrophenyl)piperidin-4-amine
CID 18144600
(4-nitrophenyl) 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 1379134
2-morpholin-4-ylsulfonyl-4-nitro-N-[(2-nitrophenyl)methylideneamino]aniline
CID 3910260
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 55316026

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(2-morpholin-4-ylsulfonyl-4-nitroanilino)phenol?
The IUPAC name of 2-methoxy-5-(2-morpholin-4-ylsulfonyl-4-nitroanilino)phenol (CID 24507995) is 2-methoxy-5-(2-morpholin-4-ylsulfonyl-4-nitroanilino)phenol.
What is the SMILES notation for 2-methoxy-5-(2-morpholin-4-ylsulfonyl-4-nitroanilino)phenol?
The canonical SMILES for 2-methoxy-5-(2-morpholin-4-ylsulfonyl-4-nitroanilino)phenol is COc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)cc1O.
What is the InChIKey of 2-methoxy-5-(2-morpholin-4-ylsulfonyl-4-nitroanilino)phenol?
The InChIKey is WEAGNNVPIZMFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O7S/c1-26-16-5-2-12(10-15(16)21)18-14-4-3-13(20(22)23)11-17(14)28(24,25)19-6-8-27-9-7-19/h2-5,10-11,18,21H,6-9H2,1H3.
What are the key properties of 2-methoxy-5-(2-morpholin-4-ylsulfonyl-4-nitroanilino)phenol?
2-methoxy-5-(2-morpholin-4-ylsulfonyl-4-nitroanilino)phenol has a molecular weight of 409.42 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(2-morpholin-4-ylsulfonyl-4-nitroanilino)phenol is sourced from PubChem (CID 24507995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).