3-(hydrazinecarbonyl)-N-(2-phenylethyl)benzenesulfonamide

C15H17N3O3S — CID 100656698

IUPAC3-(hydrazinecarbonyl)-N-(2-phenylethyl)benzenesulfonamide
SMILESNNC(=O)c1cccc(S(=O)(=O)NCCc2ccccc2)c1
InChIInChI=1S/C15H17N3O3S/c16-18-15(19)13-7-4-8-14(11-13)22(20,21)17-10-9-12-5-2-1-3-6-12/h1-8,11,17H,9-10,16H2,(H,18,19)
InChIKeyPDLZDGWZVXIOKP-UHFFFAOYSA-N
MW319.39 g/mol
LogP0.81
Rot. Bonds6

About 3-(hydrazinecarbonyl)-N-(2-phenylethyl)benzenesulfonamide

3-(hydrazinecarbonyl)-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 100656698) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 3-(hydrazinecarbonyl)-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(hydrazinecarbonyl)-N-(2-phenylethyl)benzenesulfonamide
PubChem CID100656698
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name3-(hydrazinecarbonyl)-N-(2-phenylethyl)benzenesulfonamide
SMILESNNC(=O)c1cccc(S(=O)(=O)NCCc2ccccc2)c1
InChIInChI=1S/C15H17N3O3S/c16-18-15(19)13-7-4-8-14(11-13)22(20,21)17-10-9-12-5-2-1-3-6-12/h1-8,11,17H,9-10,16H2,(H,18,19)
InChIKeyPDLZDGWZVXIOKP-UHFFFAOYSA-N
XLogP0.81
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 50.81
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'}

Analyze 3-(hydrazinecarbonyl)-N-(2-phenylethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide
CID 2442245
N-(3-fluorophenyl)-3-(2-phenylethylsulfamoyl)benzamide
CID 109064976
3-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide
CID 109065003
[3-(2-phenylethylsulfamoyl)phenyl]boronic acid
CID 86039072
N-benzyl-3-(propylsulfamoyl)benzamide
CID 9393602
3-acetyl-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 110787259
3-[2-[4-(dimethylamino)phenyl]ethylsulfamoyl]benzoic acid
CID 110627132
3-methyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4288383
N-tert-butyl-3-[2-(4-fluorophenyl)ethylsulfamoyl]benzamide
CID 109064999
3-(2-phenylethylcarbamoyl)benzenesulfonyl chloride
CID 110823487
(E)-3-[3-(2-phenylethylsulfamoyl)phenyl]prop-2-enoic acid
CID 22492494
3-[2-[(3-chlorophenyl)sulfonylamino]ethyl]benzoic acid
CID 174539221

Frequently Asked Questions

What is the IUPAC name of 3-(hydrazinecarbonyl)-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 3-(hydrazinecarbonyl)-N-(2-phenylethyl)benzenesulfonamide (CID 100656698) is 3-(hydrazinecarbonyl)-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 3-(hydrazinecarbonyl)-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 3-(hydrazinecarbonyl)-N-(2-phenylethyl)benzenesulfonamide is NNC(=O)c1cccc(S(=O)(=O)NCCc2ccccc2)c1.
What is the InChIKey of 3-(hydrazinecarbonyl)-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is PDLZDGWZVXIOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c16-18-15(19)13-7-4-8-14(11-13)22(20,21)17-10-9-12-5-2-1-3-6-12/h1-8,11,17H,9-10,16H2,(H,18,19).
What are the key properties of 3-(hydrazinecarbonyl)-N-(2-phenylethyl)benzenesulfonamide?
3-(hydrazinecarbonyl)-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 319.39 g/mol, XLogP of 0.81, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydrazinecarbonyl)-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 100656698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).