N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide

C14H15N3O3S — CID 2442245

IUPACN-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide
SMILESNNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C14H15N3O3S/c15-17-14(18)12-7-4-8-13(9-12)21(19,20)16-10-11-5-2-1-3-6-11/h1-9,16H,10,15H2,(H,17,18)
InChIKeyOOPWRNLJQOGPTN-UHFFFAOYSA-N
MW305.36 g/mol
LogP0.77
Rot. Bonds5

About N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide

N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide (PubChem CID 2442245) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide
PubChem CID2442245
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC NameN-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide
SMILESNNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C14H15N3O3S/c15-17-14(18)12-7-4-8-13(9-12)21(19,20)16-10-11-5-2-1-3-6-11/h1-9,16H,10,15H2,(H,17,18)
InChIKeyOOPWRNLJQOGPTN-UHFFFAOYSA-N
XLogP0.77
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 50.77
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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Related Compounds

3-(hydrazinecarbonyl)-N-(2-phenylethyl)benzenesulfonamide
CID 100656698
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N-[1-(aminomethyl)cyclopentyl]-3-(benzylsulfamoyl)benzamide
CID 119566712
N-(3-aminobutyl)-3-(benzylsulfamoyl)benzamide;hydrochloride
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N-[2-[[3-(benzylsulfamoyl)benzoyl]amino]ethyl]-2-chlorobenzamide
CID 55659262
3-(benzylsulfamoyl)-N-(1-hydroxybutan-2-yl)benzamide
CID 4227371
3-(benzylsulfamoyl)-N-(2,4-dimethylphenyl)benzamide
CID 9342801
N-benzyl-3-(propylsulfamoyl)benzamide
CID 9393602
3-(benzylsulfamoyl)-N-(4-methylpiperazin-4-ium-1-yl)benzamide
CID 7414536
[3-[[3-(benzylsulfamoyl)benzoyl]amino]phenyl]-methyl-oxoazanium
CID 170977181

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide?
The IUPAC name of N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide (CID 2442245) is N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide is NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide?
The InChIKey is OOPWRNLJQOGPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c15-17-14(18)12-7-4-8-13(9-12)21(19,20)16-10-11-5-2-1-3-6-11/h1-9,16H,10,15H2,(H,17,18).
What are the key properties of N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide?
N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide has a molecular weight of 305.36 g/mol, XLogP of 0.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide is sourced from PubChem (CID 2442245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).