(E)-3-(2-methoxyphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide

C17H17N3O6S — CID 9164918

IUPAC(E)-3-(2-methoxyphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide
SMILESCOc1ccccc1/C=C/C(=O)NNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C17H17N3O6S/c1-12-7-9-14(11-15(12)20(22)23)27(24,25)19-18-17(21)10-8-13-5-3-4-6-16(13)26-2/h3-11,19H,1-2H3,(H,18,21)/b10-8+
InChIKeyUUMSLLQVOYMCHH-CSKARUKUSA-N
MW391.41 g/mol
LogP1.93
Rot. Bonds7

About (E)-3-(2-methoxyphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide

(E)-3-(2-methoxyphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide (PubChem CID 9164918) has the molecular formula C17H17N3O6S and a molecular weight of 391.41 g/mol. Its IUPAC name is (E)-3-(2-methoxyphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-(2-methoxyphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide
PubChem CID9164918
Molecular FormulaC17H17N3O6S
Molecular Weight391.41 g/mol
Exact Mass391.08
IUPAC Name(E)-3-(2-methoxyphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide
SMILESCOc1ccccc1/C=C/C(=O)NNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C17H17N3O6S/c1-12-7-9-14(11-15(12)20(22)23)27(24,25)19-18-17(21)10-8-13-5-3-4-6-16(13)26-2/h3-11,19H,1-2H3,(H,18,21)/b10-8+
InChIKeyUUMSLLQVOYMCHH-CSKARUKUSA-N
XLogP1.93
TPSA127.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_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

(E)-3-(3-fluoro-4-methoxyphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide
CID 9208056
(E)-3-(4-fluorophenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide
CID 9164920
(E)-3-(4-ethoxyphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide
CID 9164878
3,4,5-trimethoxy-N'-(4-methyl-3-nitrophenyl)sulfonylbenzohydrazide
CID 26680885
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 3982456
(E)-3-(2-methoxyphenyl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide
CID 6272482
2-(3,4-dimethylphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide
CID 9164866
N-hydroxy-3-(2-methoxyphenyl)prop-2-enamide
CID 123173944
4-methoxy-3-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoic acid
CID 71878117
N-(2-methoxy-4-nitrophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 2793351
N'-(4-methyl-3-nitrophenyl)sulfonylfuran-2-carbohydrazide
CID 8616963
N'-[4-(4-methyl-3-nitrophenyl)phenyl]sulfonylacetohydrazide
CID 110454037

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methoxyphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide?
The IUPAC name of (E)-3-(2-methoxyphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide (CID 9164918) is (E)-3-(2-methoxyphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide.
What is the SMILES notation for (E)-3-(2-methoxyphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide?
The canonical SMILES for (E)-3-(2-methoxyphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide is COc1ccccc1/C=C/C(=O)NNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1.
What is the InChIKey of (E)-3-(2-methoxyphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide?
The InChIKey is UUMSLLQVOYMCHH-CSKARUKUSA-N. The full InChI is InChI=1S/C17H17N3O6S/c1-12-7-9-14(11-15(12)20(22)23)27(24,25)19-18-17(21)10-8-13-5-3-4-6-16(13)26-2/h3-11,19H,1-2H3,(H,18,21)/b10-8+.
What are the key properties of (E)-3-(2-methoxyphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide?
(E)-3-(2-methoxyphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide has a molecular weight of 391.41 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methoxyphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide is sourced from PubChem (CID 9164918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).