N'-(benzenesulfonyl)-2-ethylpyridine-4-carbohydrazide

C14H15N3O3S — CID 165352501

IUPACN'-(benzenesulfonyl)-2-ethylpyridine-4-carbohydrazide
SMILESCCc1cc(C(=O)NNS(=O)(=O)c2ccccc2)ccn1
InChIInChI=1S/C14H15N3O3S/c1-2-12-10-11(8-9-15-12)14(18)16-17-21(19,20)13-6-4-3-5-7-13/h3-10,17H,2H2,1H3,(H,16,18)
InChIKeyRUKRKPNZHRFDIF-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.27
Rot. Bonds5

About N'-(benzenesulfonyl)-2-ethylpyridine-4-carbohydrazide

N'-(benzenesulfonyl)-2-ethylpyridine-4-carbohydrazide (PubChem CID 165352501) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-2-ethylpyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-2-ethylpyridine-4-carbohydrazide
PubChem CID165352501
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC NameN'-(benzenesulfonyl)-2-ethylpyridine-4-carbohydrazide
SMILESCCc1cc(C(=O)NNS(=O)(=O)c2ccccc2)ccn1
InChIInChI=1S/C14H15N3O3S/c1-2-12-10-11(8-9-15-12)14(18)16-17-21(19,20)13-6-4-3-5-7-13/h3-10,17H,2H2,1H3,(H,16,18)
InChIKeyRUKRKPNZHRFDIF-UHFFFAOYSA-N
XLogP1.27
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(benzenesulfonyl)-3-bromobenzohydrazide
CID 1035450
sodium N'-(benzenesulfonyl)benzohydrazide
CID 54612136
N'-(benzenesulfonyl)naphthalene-2-carbohydrazide
CID 91444236
2-ethylpyridine-4-carbonyl chloride
CID 45081393
N'-(benzenesulfonyl)-4-methoxybenzohydrazide
CID 795528
N'-(benzenesulfonyl)-4-(2-phenylethynyl)benzohydrazide
CID 10172619
2-amino-N'-(benzenesulfonyl)pyridine-3-carbohydrazide
CID 56689453
ethane;methyl 2-ethylpyridine-4-carboxylate
CID 144656237
4-ethoxy-N'-(4-ethylphenyl)sulfonyl-3-methoxybenzohydrazide
CID 9238646
N'-(benzenesulfonyl)-4-chloro-3-nitrobenzohydrazide
CID 3409040
N'-(benzenesulfonyl)-2,5-dimethylbenzohydrazide
CID 54112488
2-(aminomethyl)-N-(3-methylsulfonylphenyl)pyridine-4-carboxamide
CID 114325907

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-2-ethylpyridine-4-carbohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-2-ethylpyridine-4-carbohydrazide (CID 165352501) is N'-(benzenesulfonyl)-2-ethylpyridine-4-carbohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-2-ethylpyridine-4-carbohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-2-ethylpyridine-4-carbohydrazide is CCc1cc(C(=O)NNS(=O)(=O)c2ccccc2)ccn1.
What is the InChIKey of N'-(benzenesulfonyl)-2-ethylpyridine-4-carbohydrazide?
The InChIKey is RUKRKPNZHRFDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-2-12-10-11(8-9-15-12)14(18)16-17-21(19,20)13-6-4-3-5-7-13/h3-10,17H,2H2,1H3,(H,16,18).
What are the key properties of N'-(benzenesulfonyl)-2-ethylpyridine-4-carbohydrazide?
N'-(benzenesulfonyl)-2-ethylpyridine-4-carbohydrazide has a molecular weight of 305.36 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-2-ethylpyridine-4-carbohydrazide is sourced from PubChem (CID 165352501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).