4-chloro-N-methyl-N-[2-(2-methylsulfonylhydrazinyl)-2-oxoethyl]benzenesulfonamide

C10H14ClN3O5S2 — CID 2363818

IUPAC4-chloro-N-methyl-N-[2-(2-methylsulfonylhydrazinyl)-2-oxoethyl]benzenesulfonamide
SMILESCN(CC(=O)NNS(C)(=O)=O)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H14ClN3O5S2/c1-14(7-10(15)12-13-20(2,16)17)21(18,19)9-5-3-8(11)4-6-9/h3-6,13H,7H2,1-2H3,(H,12,15)
InChIKeyLQWUVUZOZOCQSE-UHFFFAOYSA-N
MW355.83 g/mol
LogP-0.46
Rot. Bonds6

About 4-chloro-N-methyl-N-[2-(2-methylsulfonylhydrazinyl)-2-oxoethyl]benzenesulfonamide

4-chloro-N-methyl-N-[2-(2-methylsulfonylhydrazinyl)-2-oxoethyl]benzenesulfonamide (PubChem CID 2363818) has the molecular formula C10H14ClN3O5S2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-[2-(2-methylsulfonylhydrazinyl)-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-methyl-N-[2-(2-methylsulfonylhydrazinyl)-2-oxoethyl]benzenesulfonamide
PubChem CID2363818
Molecular FormulaC10H14ClN3O5S2
Molecular Weight355.83 g/mol
Exact Mass355.01
IUPAC Name4-chloro-N-methyl-N-[2-(2-methylsulfonylhydrazinyl)-2-oxoethyl]benzenesulfonamide
SMILESCN(CC(=O)NNS(C)(=O)=O)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H14ClN3O5S2/c1-14(7-10(15)12-13-20(2,16)17)21(18,19)9-5-3-8(11)4-6-9/h3-6,13H,7H2,1-2H3,(H,12,15)
InChIKeyLQWUVUZOZOCQSE-UHFFFAOYSA-N
XLogP-0.46
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 4-chloro-N-methyl-N-[2-(2-methylsulfonylhydrazinyl)-2-oxoethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-methyl-N-[2-(2-methylsulfonylhydrazinyl)-2-oxoethyl]benzenesulfonamide (CID 2363818) is 4-chloro-N-methyl-N-[2-(2-methylsulfonylhydrazinyl)-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-methyl-N-[2-(2-methylsulfonylhydrazinyl)-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-methyl-N-[2-(2-methylsulfonylhydrazinyl)-2-oxoethyl]benzenesulfonamide is CN(CC(=O)NNS(C)(=O)=O)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-methyl-N-[2-(2-methylsulfonylhydrazinyl)-2-oxoethyl]benzenesulfonamide?
The InChIKey is LQWUVUZOZOCQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O5S2/c1-14(7-10(15)12-13-20(2,16)17)21(18,19)9-5-3-8(11)4-6-9/h3-6,13H,7H2,1-2H3,(H,12,15).
What are the key properties of 4-chloro-N-methyl-N-[2-(2-methylsulfonylhydrazinyl)-2-oxoethyl]benzenesulfonamide?
4-chloro-N-methyl-N-[2-(2-methylsulfonylhydrazinyl)-2-oxoethyl]benzenesulfonamide has a molecular weight of 355.83 g/mol, XLogP of -0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-[2-(2-methylsulfonylhydrazinyl)-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 2363818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).