5-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide

C16H17N3O6S — CID 135758620

IUPAC5-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide
SMILESCOc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C16H17N3O6S/c1-18(2)26(23,24)16-9-12(4-7-15(16)25-3)17-10-11-8-13(19(21)22)5-6-14(11)20/h4-10,20H,1-3H3/b17-10+
InChIKeyHULUHHWZBUQEPC-LICLKQGHSA-N
MW379.39 g/mol
LogP2.31
Rot. Bonds6

About 5-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide

5-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide (PubChem CID 135758620) has the molecular formula C16H17N3O6S and a molecular weight of 379.39 g/mol. Its IUPAC name is 5-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide
PubChem CID135758620
Molecular FormulaC16H17N3O6S
Molecular Weight379.39 g/mol
Exact Mass379.08
IUPAC Name5-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide
SMILESCOc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C16H17N3O6S/c1-18(2)26(23,24)16-9-12(4-7-15(16)25-3)17-10-11-8-13(19(21)22)5-6-14(11)20/h4-10,20H,1-3H3/b17-10+
InChIKeyHULUHHWZBUQEPC-LICLKQGHSA-N
XLogP2.31
TPSA122.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

3-[(2-hydroxy-5-nitrophenyl)methylideneamino]-4-methoxy-N,N-dimethylbenzenesulfonamide
CID 135595872
5-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide
CID 135758621
2-chloro-N,N-diethyl-5-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzenesulfonamide
CID 135596128
5-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide
CID 135774521
N,N-dimethyl-5-[(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]-2-piperidin-1-ylbenzenesulfonamide
CID 94849818
2-[(3-methylsulfonylphenyl)iminomethyl]-4-nitrophenol
CID 135855366
2-[(2,4-dimethoxyphenyl)iminomethyl]-4-nitrophenol
CID 135595595
4-nitro-2-[(4-propan-2-ylphenyl)iminomethyl]phenol
CID 135595250
2-[(4-ethoxyphenyl)iminomethyl]-4-nitrophenol
CID 710256
2-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol
CID 5072766
3-[(2-methoxy-5-nitrophenyl)methylideneamino]benzoic acid
CID 690081
2-[[2-hydroxy-5-[4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-4-nitrophenol
CID 3683994

Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 5-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide (CID 135758620) is 5-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 5-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide is COc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 5-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide?
The InChIKey is HULUHHWZBUQEPC-LICLKQGHSA-N. The full InChI is InChI=1S/C16H17N3O6S/c1-18(2)26(23,24)16-9-12(4-7-15(16)25-3)17-10-11-8-13(19(21)22)5-6-14(11)20/h4-10,20H,1-3H3/b17-10+.
What are the key properties of 5-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide?
5-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide has a molecular weight of 379.39 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 135758620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).