N-[2-(diethylamino)ethyl]-4-(hydrazinecarbonyl)benzenesulfonamide

C13H22N4O3S — CID 2446584

IUPACN-[2-(diethylamino)ethyl]-4-(hydrazinecarbonyl)benzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1ccc(C(=O)NN)cc1
InChIInChI=1S/C13H22N4O3S/c1-3-17(4-2)10-9-15-21(19,20)12-7-5-11(6-8-12)13(18)16-14/h5-8,15H,3-4,9-10,14H2,1-2H3,(H,16,18)
InChIKeyBGEQEYUTSFOFOL-UHFFFAOYSA-N
MW314.41 g/mol
LogP-0.09
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-4-(hydrazinecarbonyl)benzenesulfonamide

N-[2-(diethylamino)ethyl]-4-(hydrazinecarbonyl)benzenesulfonamide (PubChem CID 2446584) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-(hydrazinecarbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-(hydrazinecarbonyl)benzenesulfonamide
PubChem CID2446584
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC NameN-[2-(diethylamino)ethyl]-4-(hydrazinecarbonyl)benzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1ccc(C(=O)NN)cc1
InChIInChI=1S/C13H22N4O3S/c1-3-17(4-2)10-9-15-21(19,20)12-7-5-11(6-8-12)13(18)16-14/h5-8,15H,3-4,9-10,14H2,1-2H3,(H,16,18)
InChIKeyBGEQEYUTSFOFOL-UHFFFAOYSA-N
XLogP-0.09
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 5-0.09
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 N-[2-(diethylamino)ethyl]-4-(hydrazinecarbonyl)benzenesulfonamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-(hydrazinecarbonyl)benzenesulfonamide (CID 2446584) is N-[2-(diethylamino)ethyl]-4-(hydrazinecarbonyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-(hydrazinecarbonyl)benzenesulfonamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-(hydrazinecarbonyl)benzenesulfonamide is CCN(CC)CCNS(=O)(=O)c1ccc(C(=O)NN)cc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-(hydrazinecarbonyl)benzenesulfonamide?
The InChIKey is BGEQEYUTSFOFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-3-17(4-2)10-9-15-21(19,20)12-7-5-11(6-8-12)13(18)16-14/h5-8,15H,3-4,9-10,14H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(diethylamino)ethyl]-4-(hydrazinecarbonyl)benzenesulfonamide?
N-[2-(diethylamino)ethyl]-4-(hydrazinecarbonyl)benzenesulfonamide has a molecular weight of 314.41 g/mol, XLogP of -0.09, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-(hydrazinecarbonyl)benzenesulfonamide is sourced from PubChem (CID 2446584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).