N'-(4-cyanophenyl)sulfonyl-3,4-dimethoxybenzohydrazide

C16H15N3O5S — CID 8523714

IUPACN'-(4-cyanophenyl)sulfonyl-3,4-dimethoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNS(=O)(=O)c2ccc(C#N)cc2)cc1OC
InChIInChI=1S/C16H15N3O5S/c1-23-14-8-5-12(9-15(14)24-2)16(20)18-19-25(21,22)13-6-3-11(10-17)4-7-13/h3-9,19H,1-2H3,(H,18,20)
InChIKeyOWWJNKUUDQBIGW-UHFFFAOYSA-N
MW361.38 g/mol
LogP1.20
Rot. Bonds6

About N'-(4-cyanophenyl)sulfonyl-3,4-dimethoxybenzohydrazide

N'-(4-cyanophenyl)sulfonyl-3,4-dimethoxybenzohydrazide (PubChem CID 8523714) has the molecular formula C16H15N3O5S and a molecular weight of 361.38 g/mol. Its IUPAC name is N'-(4-cyanophenyl)sulfonyl-3,4-dimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-(4-cyanophenyl)sulfonyl-3,4-dimethoxybenzohydrazide
PubChem CID8523714
Molecular FormulaC16H15N3O5S
Molecular Weight361.38 g/mol
Exact Mass361.07
IUPAC NameN'-(4-cyanophenyl)sulfonyl-3,4-dimethoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNS(=O)(=O)c2ccc(C#N)cc2)cc1OC
InChIInChI=1S/C16H15N3O5S/c1-23-14-8-5-12(9-15(14)24-2)16(20)18-19-25(21,22)13-6-3-11(10-17)4-7-13/h3-9,19H,1-2H3,(H,18,20)
InChIKeyOWWJNKUUDQBIGW-UHFFFAOYSA-N
XLogP1.20
TPSA117.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[1-(4-cyanophenyl)ethenyl]-3,4-dimethoxybenzohydrazide
CID 2453941
4-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]sulfamoyl]benzamide
CID 55447326
3,4-dimethoxy-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide
CID 8523716
4-ethoxy-N'-(4-ethylphenyl)sulfonyl-3-methoxybenzohydrazide
CID 9238646
N'-(4-cyanophenyl)sulfonyl-3,4,5-triethoxybenzohydrazide
CID 26980395
N-(3-cyanophenyl)sulfonyl-3,4-dimethoxybenzamide
CID 71940242
N'-(3-cyanophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide
CID 8523669
4-bromo-N'-(4-cyanophenyl)sulfonylbenzohydrazide
CID 26951550
3-chloro-N'-(3,4-dimethoxyphenyl)sulfonylbenzohydrazide
CID 8616663
N-[4-(benzenesulfonamidocarbamoyl)phenyl]-3,4-dimethoxybenzenesulfonamide
CID 90786253
3,4,5-trimethoxy-N'-(4-propan-2-ylphenyl)sulfonylbenzohydrazide
CID 8523659
(4-cyanophenyl)methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 8664523

Frequently Asked Questions

What is the IUPAC name of N'-(4-cyanophenyl)sulfonyl-3,4-dimethoxybenzohydrazide?
The IUPAC name of N'-(4-cyanophenyl)sulfonyl-3,4-dimethoxybenzohydrazide (CID 8523714) is N'-(4-cyanophenyl)sulfonyl-3,4-dimethoxybenzohydrazide.
What is the SMILES notation for N'-(4-cyanophenyl)sulfonyl-3,4-dimethoxybenzohydrazide?
The canonical SMILES for N'-(4-cyanophenyl)sulfonyl-3,4-dimethoxybenzohydrazide is COc1ccc(C(=O)NNS(=O)(=O)c2ccc(C#N)cc2)cc1OC.
What is the InChIKey of N'-(4-cyanophenyl)sulfonyl-3,4-dimethoxybenzohydrazide?
The InChIKey is OWWJNKUUDQBIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5S/c1-23-14-8-5-12(9-15(14)24-2)16(20)18-19-25(21,22)13-6-3-11(10-17)4-7-13/h3-9,19H,1-2H3,(H,18,20).
What are the key properties of N'-(4-cyanophenyl)sulfonyl-3,4-dimethoxybenzohydrazide?
N'-(4-cyanophenyl)sulfonyl-3,4-dimethoxybenzohydrazide has a molecular weight of 361.38 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-cyanophenyl)sulfonyl-3,4-dimethoxybenzohydrazide is sourced from PubChem (CID 8523714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).