N'-(benzenesulfonyl)-3-methoxy-5-pyrimidin-2-ylbenzohydrazide

C18H16N4O4S — CID 135298634

IUPACN'-(benzenesulfonyl)-3-methoxy-5-pyrimidin-2-ylbenzohydrazide
SMILESCOc1cc(C(=O)NNS(=O)(=O)c2ccccc2)cc(-c2ncccn2)c1
InChIInChI=1S/C18H16N4O4S/c1-26-15-11-13(17-19-8-5-9-20-17)10-14(12-15)18(23)21-22-27(24,25)16-6-3-2-4-7-16/h2-12,22H,1H3,(H,21,23)
InChIKeyGATMKLZRYGVSAK-UHFFFAOYSA-N
MW384.42 g/mol
LogP1.78
Rot. Bonds6

About N'-(benzenesulfonyl)-3-methoxy-5-pyrimidin-2-ylbenzohydrazide

N'-(benzenesulfonyl)-3-methoxy-5-pyrimidin-2-ylbenzohydrazide (PubChem CID 135298634) has the molecular formula C18H16N4O4S and a molecular weight of 384.42 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-3-methoxy-5-pyrimidin-2-ylbenzohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-3-methoxy-5-pyrimidin-2-ylbenzohydrazide
PubChem CID135298634
Molecular FormulaC18H16N4O4S
Molecular Weight384.42 g/mol
Exact Mass384.09
IUPAC NameN'-(benzenesulfonyl)-3-methoxy-5-pyrimidin-2-ylbenzohydrazide
SMILESCOc1cc(C(=O)NNS(=O)(=O)c2ccccc2)cc(-c2ncccn2)c1
InChIInChI=1S/C18H16N4O4S/c1-26-15-11-13(17-19-8-5-9-20-17)10-14(12-15)18(23)21-22-27(24,25)16-6-3-2-4-7-16/h2-12,22H,1H3,(H,21,23)
InChIKeyGATMKLZRYGVSAK-UHFFFAOYSA-N
XLogP1.78
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 51.78
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

3-methoxy-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}benzamide
CID 1219917
N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-pyrimidin-2-ylbenzohydrazide
CID 135298534
N'-(benzenesulfonyl)-3-methoxy-5-pyridin-2-ylbenzohydrazide
CID 135298581
N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-pyridin-2-ylbenzohydrazide
CID 135298631
3,5-dimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 1072404
4-propoxy-N-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]benzamide
CID 6892851
4-ethoxy-N-[(E)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]benzamide
CID 6892875
4-{[3-(3-methoxyphenyl)-3-oxo-1-propen-1-yl]amino}-N-2-pyrimidinylbenzenesulfonamide
CID 1926462
N-(Phenylsulfonyl)-4-Propoxy-3-({[4-(Pyrimidin-2-Yl)benzoyl]amino}methyl)benzamide
CID 86278019
2-(4-methoxyanilino)-N'-(4-methylphenyl)sulfonyl nicotino hydrazide
CID 24205767
4-[[(2-cyanopyrimidin-5-yl)sulfonylamino]methyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 178298094
3,5-dimethoxy-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}benzamide
CID 1150951

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-3-methoxy-5-pyrimidin-2-ylbenzohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-3-methoxy-5-pyrimidin-2-ylbenzohydrazide (CID 135298634) is N'-(benzenesulfonyl)-3-methoxy-5-pyrimidin-2-ylbenzohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-3-methoxy-5-pyrimidin-2-ylbenzohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-3-methoxy-5-pyrimidin-2-ylbenzohydrazide is COc1cc(C(=O)NNS(=O)(=O)c2ccccc2)cc(-c2ncccn2)c1.
What is the InChIKey of N'-(benzenesulfonyl)-3-methoxy-5-pyrimidin-2-ylbenzohydrazide?
The InChIKey is GATMKLZRYGVSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4S/c1-26-15-11-13(17-19-8-5-9-20-17)10-14(12-15)18(23)21-22-27(24,25)16-6-3-2-4-7-16/h2-12,22H,1H3,(H,21,23).
What are the key properties of N'-(benzenesulfonyl)-3-methoxy-5-pyrimidin-2-ylbenzohydrazide?
N'-(benzenesulfonyl)-3-methoxy-5-pyrimidin-2-ylbenzohydrazide has a molecular weight of 384.42 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-3-methoxy-5-pyrimidin-2-ylbenzohydrazide is sourced from PubChem (CID 135298634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).