3-chloro-4-[4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,6-dimethylbenzenesulfonamide

C13H17ClN4O4S — CID 155527199

IUPAC3-chloro-4-[4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(N2CC(C(=O)NN)CC2=O)c(Cl)c(C)c1S(N)(=O)=O
InChIInChI=1S/C13H17ClN4O4S/c1-6-3-9(11(14)7(2)12(6)23(16,21)22)18-5-8(4-10(18)19)13(20)17-15/h3,8H,4-5,15H2,1-2H3,(H,17,20)(H2,16,21,22)
InChIKeyZZBVZOGPOHYKDO-UHFFFAOYSA-N
MW360.82 g/mol
LogP-0.05
Rot. Bonds3

About 3-chloro-4-[4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,6-dimethylbenzenesulfonamide

3-chloro-4-[4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,6-dimethylbenzenesulfonamide (PubChem CID 155527199) has the molecular formula C13H17ClN4O4S and a molecular weight of 360.82 g/mol. Its IUPAC name is 3-chloro-4-[4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-[4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,6-dimethylbenzenesulfonamide
PubChem CID155527199
Molecular FormulaC13H17ClN4O4S
Molecular Weight360.82 g/mol
Exact Mass360.07
IUPAC Name3-chloro-4-[4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(N2CC(C(=O)NN)CC2=O)c(Cl)c(C)c1S(N)(=O)=O
InChIInChI=1S/C13H17ClN4O4S/c1-6-3-9(11(14)7(2)12(6)23(16,21)22)18-5-8(4-10(18)19)13(20)17-15/h3,8H,4-5,15H2,1-2H3,(H,17,20)(H2,16,21,22)
InChIKeyZZBVZOGPOHYKDO-UHFFFAOYSA-N
XLogP-0.05
TPSA135.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 3-chloro-4-[4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 3-chloro-4-[4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,6-dimethylbenzenesulfonamide (CID 155527199) is 3-chloro-4-[4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-4-[4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 3-chloro-4-[4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,6-dimethylbenzenesulfonamide is Cc1cc(N2CC(C(=O)NN)CC2=O)c(Cl)c(C)c1S(N)(=O)=O.
What is the InChIKey of 3-chloro-4-[4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,6-dimethylbenzenesulfonamide?
The InChIKey is ZZBVZOGPOHYKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O4S/c1-6-3-9(11(14)7(2)12(6)23(16,21)22)18-5-8(4-10(18)19)13(20)17-15/h3,8H,4-5,15H2,1-2H3,(H,17,20)(H2,16,21,22).
What are the key properties of 3-chloro-4-[4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,6-dimethylbenzenesulfonamide?
3-chloro-4-[4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,6-dimethylbenzenesulfonamide has a molecular weight of 360.82 g/mol, XLogP of -0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 155527199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).