3-methoxy-4-(3-methylbutoxy)-N'-(2-nitrophenyl)sulfonylbenzohydrazide

C19H23N3O7S — CID 26952120

IUPAC3-methoxy-4-(3-methylbutoxy)-N'-(2-nitrophenyl)sulfonylbenzohydrazide
SMILESCOc1cc(C(=O)NNS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1OCCC(C)C
InChIInChI=1S/C19H23N3O7S/c1-13(2)10-11-29-16-9-8-14(12-17(16)28-3)19(23)20-21-30(26,27)18-7-5-4-6-15(18)22(24)25/h4-9,12-13,21H,10-11H2,1-3H3,(H,20,23)
InChIKeyYHTZIHRFKGPVEZ-UHFFFAOYSA-N
MW437.47 g/mol
LogP2.65
Rot. Bonds10

About 3-methoxy-4-(3-methylbutoxy)-N'-(2-nitrophenyl)sulfonylbenzohydrazide

3-methoxy-4-(3-methylbutoxy)-N'-(2-nitrophenyl)sulfonylbenzohydrazide (PubChem CID 26952120) has the molecular formula C19H23N3O7S and a molecular weight of 437.47 g/mol. Its IUPAC name is 3-methoxy-4-(3-methylbutoxy)-N'-(2-nitrophenyl)sulfonylbenzohydrazide.

Molecular Properties

Compound Name3-methoxy-4-(3-methylbutoxy)-N'-(2-nitrophenyl)sulfonylbenzohydrazide
PubChem CID26952120
Molecular FormulaC19H23N3O7S
Molecular Weight437.47 g/mol
Exact Mass437.13
IUPAC Name3-methoxy-4-(3-methylbutoxy)-N'-(2-nitrophenyl)sulfonylbenzohydrazide
SMILESCOc1cc(C(=O)NNS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1OCCC(C)C
InChIInChI=1S/C19H23N3O7S/c1-13(2)10-11-29-16-9-8-14(12-17(16)28-3)19(23)20-21-30(26,27)18-7-5-4-6-15(18)22(24)25/h4-9,12-13,21H,10-11H2,1-3H3,(H,20,23)
InChIKeyYHTZIHRFKGPVEZ-UHFFFAOYSA-N
XLogP2.65
TPSA136.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'-(4-chloro-2-fluorophenyl)sulfonyl-3-methoxy-4-(3-methylbutoxy)benzohydrazide
CID 26952142
4-(2-methoxyethylamino)-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-3-nitrobenzohydrazide
CID 24515194
3-methoxy-N'-(2-methoxybenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 25486360
3-methoxy-4-(3-methylbutoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide
CID 8823546
1-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]-3-(3-nitrophenyl)urea
CID 46513793
N'-(2-fluorophenyl)sulfonyl-4-(3-methylbutoxy)benzohydrazide
CID 8617549
3-methoxy-N'-[2-(methylamino)-5-nitrobenzoyl]-4-(3-methylbutoxy)benzohydrazide
CID 24531838
1-(2-fluorophenyl)-3-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]thiourea
CID 8788648
3,4-dimethoxy-N'-(2-nitrobenzoyl)benzohydrazide
CID 3120163
4-ethoxy-3-methoxy-N'-(2-nitrobenzoyl)benzohydrazide
CID 25441159
3,4-dimethoxy-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 4931330
N-[3-[2-[3-methoxy-4-(3-methylbutoxy)benzoyl]hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
CID 34558984

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(3-methylbutoxy)-N'-(2-nitrophenyl)sulfonylbenzohydrazide?
The IUPAC name of 3-methoxy-4-(3-methylbutoxy)-N'-(2-nitrophenyl)sulfonylbenzohydrazide (CID 26952120) is 3-methoxy-4-(3-methylbutoxy)-N'-(2-nitrophenyl)sulfonylbenzohydrazide.
What is the SMILES notation for 3-methoxy-4-(3-methylbutoxy)-N'-(2-nitrophenyl)sulfonylbenzohydrazide?
The canonical SMILES for 3-methoxy-4-(3-methylbutoxy)-N'-(2-nitrophenyl)sulfonylbenzohydrazide is COc1cc(C(=O)NNS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1OCCC(C)C.
What is the InChIKey of 3-methoxy-4-(3-methylbutoxy)-N'-(2-nitrophenyl)sulfonylbenzohydrazide?
The InChIKey is YHTZIHRFKGPVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O7S/c1-13(2)10-11-29-16-9-8-14(12-17(16)28-3)19(23)20-21-30(26,27)18-7-5-4-6-15(18)22(24)25/h4-9,12-13,21H,10-11H2,1-3H3,(H,20,23).
What are the key properties of 3-methoxy-4-(3-methylbutoxy)-N'-(2-nitrophenyl)sulfonylbenzohydrazide?
3-methoxy-4-(3-methylbutoxy)-N'-(2-nitrophenyl)sulfonylbenzohydrazide has a molecular weight of 437.47 g/mol, XLogP of 2.65, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(3-methylbutoxy)-N'-(2-nitrophenyl)sulfonylbenzohydrazide is sourced from PubChem (CID 26952120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).