N-(2,4-dimethylphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide

C15H17N3O3S — CID 3293529

IUPACN-(2,4-dimethylphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)NN)c2)c(C)c1
InChIInChI=1S/C15H17N3O3S/c1-10-6-7-14(11(2)8-10)18-22(20,21)13-5-3-4-12(9-13)15(19)17-16/h3-9,18H,16H2,1-2H3,(H,17,19)
InChIKeyISYAJKRVMDOPPV-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.71
Rot. Bonds4

About N-(2,4-dimethylphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide

N-(2,4-dimethylphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide (PubChem CID 3293529) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide
PubChem CID3293529
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC NameN-(2,4-dimethylphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)NN)c2)c(C)c1
InChIInChI=1S/C15H17N3O3S/c1-10-6-7-14(11(2)8-10)18-22(20,21)13-5-3-4-12(9-13)15(19)17-16/h3-9,18H,16H2,1-2H3,(H,17,19)
InChIKeyISYAJKRVMDOPPV-UHFFFAOYSA-N
XLogP1.71
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.71
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-(2,4-dimethylphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide (CID 3293529) is N-(2,4-dimethylphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NN)c2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide?
The InChIKey is ISYAJKRVMDOPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-10-6-7-14(11(2)8-10)18-22(20,21)13-5-3-4-12(9-13)15(19)17-16/h3-9,18H,16H2,1-2H3,(H,17,19).
What are the key properties of N-(2,4-dimethylphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide?
N-(2,4-dimethylphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide has a molecular weight of 319.39 g/mol, XLogP of 1.71, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide is sourced from PubChem (CID 3293529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).