N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzenesulfonamide

C17H18ClN3O4S — CID 2435129

IUPACN-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccccc2Cl)cc1C
InChIInChI=1S/C17H18ClN3O4S/c1-11-7-8-13(9-12(11)2)26(24,25)19-10-16(22)20-21-17(23)14-5-3-4-6-15(14)18/h3-9,19H,10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyXWBYVPPTBNWNES-UHFFFAOYSA-N
MW395.87 g/mol
LogP1.70
Rot. Bonds5

About N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzenesulfonamide

N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzenesulfonamide (PubChem CID 2435129) has the molecular formula C17H18ClN3O4S and a molecular weight of 395.87 g/mol. Its IUPAC name is N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzenesulfonamide
PubChem CID2435129
Molecular FormulaC17H18ClN3O4S
Molecular Weight395.87 g/mol
Exact Mass395.07
IUPAC NameN-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccccc2Cl)cc1C
InChIInChI=1S/C17H18ClN3O4S/c1-11-7-8-13(9-12(11)2)26(24,25)19-10-16(22)20-21-17(23)14-5-3-4-6-15(14)18/h3-9,19H,10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyXWBYVPPTBNWNES-UHFFFAOYSA-N
XLogP1.70
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.87
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzenesulfonamide (CID 2435129) is N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccccc2Cl)cc1C.
What is the InChIKey of N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is XWBYVPPTBNWNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O4S/c1-11-7-8-13(9-12(11)2)26(24,25)19-10-16(22)20-21-17(23)14-5-3-4-6-15(14)18/h3-9,19H,10H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzenesulfonamide?
N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzenesulfonamide has a molecular weight of 395.87 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 2435129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).