N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide

C9H13N3O3S — CID 562881

IUPACN-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)NN)cc1
InChIInChI=1S/C9H13N3O3S/c1-7-2-4-8(5-3-7)16(14,15)11-6-9(13)12-10/h2-5,11H,6,10H2,1H3,(H,12,13)
InChIKeyGXVQCCUNWGRZNL-UHFFFAOYSA-N
MW243.29 g/mol
LogP-0.74
Rot. Bonds4

About N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide

N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide (PubChem CID 562881) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide
PubChem CID562881
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC NameN-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)NN)cc1
InChIInChI=1S/C9H13N3O3S/c1-7-2-4-8(5-3-7)16(14,15)11-6-9(13)12-10/h2-5,11H,6,10H2,1H3,(H,12,13)
InChIKeyGXVQCCUNWGRZNL-UHFFFAOYSA-N
XLogP-0.74
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide (CID 562881) is N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCC(=O)NN)cc1.
What is the InChIKey of N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide?
The InChIKey is GXVQCCUNWGRZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-7-2-4-8(5-3-7)16(14,15)11-6-9(13)12-10/h2-5,11H,6,10H2,1H3,(H,12,13).
What are the key properties of N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide?
N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide has a molecular weight of 243.29 g/mol, XLogP of -0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 562881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).