4-chloro-N-(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)benzenesulfonamide

C11H16ClN3O3S — CID 2844917

IUPAC4-chloro-N-(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)benzenesulfonamide
SMILESCC(C)C(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NN
InChIInChI=1S/C11H16ClN3O3S/c1-7(2)10(11(16)14-13)15-19(17,18)9-5-3-8(12)4-6-9/h3-7,10,15H,13H2,1-2H3,(H,14,16)
InChIKeyDKTDMKBSXUIFIO-UHFFFAOYSA-N
MW305.79 g/mol
LogP0.63
Rot. Bonds5

About 4-chloro-N-(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)benzenesulfonamide

4-chloro-N-(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)benzenesulfonamide (PubChem CID 2844917) has the molecular formula C11H16ClN3O3S and a molecular weight of 305.79 g/mol. Its IUPAC name is 4-chloro-N-(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)benzenesulfonamide
PubChem CID2844917
Molecular FormulaC11H16ClN3O3S
Molecular Weight305.79 g/mol
Exact Mass305.06
IUPAC Name4-chloro-N-(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)benzenesulfonamide
SMILESCC(C)C(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NN
InChIInChI=1S/C11H16ClN3O3S/c1-7(2)10(11(16)14-13)15-19(17,18)9-5-3-8(12)4-6-9/h3-7,10,15H,13H2,1-2H3,(H,14,16)
InChIKeyDKTDMKBSXUIFIO-UHFFFAOYSA-N
XLogP0.63
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 50.63
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 4-chloro-N-(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)benzenesulfonamide (CID 2844917) is 4-chloro-N-(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)benzenesulfonamide is CC(C)C(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NN.
What is the InChIKey of 4-chloro-N-(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)benzenesulfonamide?
The InChIKey is DKTDMKBSXUIFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3S/c1-7(2)10(11(16)14-13)15-19(17,18)9-5-3-8(12)4-6-9/h3-7,10,15H,13H2,1-2H3,(H,14,16).
What are the key properties of 4-chloro-N-(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)benzenesulfonamide?
4-chloro-N-(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)benzenesulfonamide has a molecular weight of 305.79 g/mol, XLogP of 0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 2844917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).