N'-(2-methoxy-5-nitrophenyl)sulfonyl-4-methylbenzohydrazide

C15H15N3O6S — CID 8823128

IUPACN'-(2-methoxy-5-nitrophenyl)sulfonyl-4-methylbenzohydrazide
SMILESCOc1ccc([N+](=O)[O-])cc1S(=O)(=O)NNC(=O)c1ccc(C)cc1
InChIInChI=1S/C15H15N3O6S/c1-10-3-5-11(6-4-10)15(19)16-17-25(22,23)14-9-12(18(20)21)7-8-13(14)24-2/h3-9,17H,1-2H3,(H,16,19)
InChIKeyWAVCQSMUSCUXQL-UHFFFAOYSA-N
MW365.37 g/mol
LogP1.54
Rot. Bonds6

About N'-(2-methoxy-5-nitrophenyl)sulfonyl-4-methylbenzohydrazide

N'-(2-methoxy-5-nitrophenyl)sulfonyl-4-methylbenzohydrazide (PubChem CID 8823128) has the molecular formula C15H15N3O6S and a molecular weight of 365.37 g/mol. Its IUPAC name is N'-(2-methoxy-5-nitrophenyl)sulfonyl-4-methylbenzohydrazide.

Molecular Properties

Compound NameN'-(2-methoxy-5-nitrophenyl)sulfonyl-4-methylbenzohydrazide
PubChem CID8823128
Molecular FormulaC15H15N3O6S
Molecular Weight365.37 g/mol
Exact Mass365.07
IUPAC NameN'-(2-methoxy-5-nitrophenyl)sulfonyl-4-methylbenzohydrazide
SMILESCOc1ccc([N+](=O)[O-])cc1S(=O)(=O)NNC(=O)c1ccc(C)cc1
InChIInChI=1S/C15H15N3O6S/c1-10-3-5-11(6-4-10)15(19)16-17-25(22,23)14-9-12(18(20)21)7-8-13(14)24-2/h3-9,17H,1-2H3,(H,16,19)
InChIKeyWAVCQSMUSCUXQL-UHFFFAOYSA-N
XLogP1.54
TPSA127.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N'-(2-methoxy-5-nitrophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide
CID 18092894
2-methoxy-N-(4-methylphenyl)-5-(4-nitrobenzoyl)benzenesulfonamide
CID 1238894
N-(2-methoxy-5-nitrophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 1251026
3,5-dimethoxy-N'-(2-methoxy-5-methylphenyl)sulfonylbenzohydrazide
CID 8515948
2-methoxy-5-[[(3-nitrobenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide
CID 27663032
4-methoxy-3-[(2-methyl-5-nitrophenyl)sulfamoyl]benzoate
CID 4088975
2-[(2-methoxy-5-nitrophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide
CID 24502128
2-methoxy-N-[(2-methylpropan-2-yl)oxy]-5-nitrobenzenesulfonamide
CID 82723411
N-(4-tert-butylphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8822435
N'-(5-bromo-2-methoxyphenyl)sulfonylbenzohydrazide
CID 26966791
2-methoxy-5-nitro-N-propylbenzenesulfonamide
CID 43213176
(2R)-3-hydroxy-2-[(2-methoxy-5-nitrophenyl)sulfonylamino]propanoic acid
CID 28544839

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxy-5-nitrophenyl)sulfonyl-4-methylbenzohydrazide?
The IUPAC name of N'-(2-methoxy-5-nitrophenyl)sulfonyl-4-methylbenzohydrazide (CID 8823128) is N'-(2-methoxy-5-nitrophenyl)sulfonyl-4-methylbenzohydrazide.
What is the SMILES notation for N'-(2-methoxy-5-nitrophenyl)sulfonyl-4-methylbenzohydrazide?
The canonical SMILES for N'-(2-methoxy-5-nitrophenyl)sulfonyl-4-methylbenzohydrazide is COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NNC(=O)c1ccc(C)cc1.
What is the InChIKey of N'-(2-methoxy-5-nitrophenyl)sulfonyl-4-methylbenzohydrazide?
The InChIKey is WAVCQSMUSCUXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O6S/c1-10-3-5-11(6-4-10)15(19)16-17-25(22,23)14-9-12(18(20)21)7-8-13(14)24-2/h3-9,17H,1-2H3,(H,16,19).
What are the key properties of N'-(2-methoxy-5-nitrophenyl)sulfonyl-4-methylbenzohydrazide?
N'-(2-methoxy-5-nitrophenyl)sulfonyl-4-methylbenzohydrazide has a molecular weight of 365.37 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxy-5-nitrophenyl)sulfonyl-4-methylbenzohydrazide is sourced from PubChem (CID 8823128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).