N-ethyl-2-hydrazinyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

C13H17N3O2S2 — CID 61437971

IUPACN-ethyl-2-hydrazinyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCCN(Cc1cccs1)S(=O)(=O)c1ccccc1NN
InChIInChI=1S/C13H17N3O2S2/c1-2-16(10-11-6-5-9-19-11)20(17,18)13-8-4-3-7-12(13)15-14/h3-9,15H,2,10,14H2,1H3
InChIKeyAYHQDVDIJWLEQZ-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.24
Rot. Bonds6

About N-ethyl-2-hydrazinyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

N-ethyl-2-hydrazinyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 61437971) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-ethyl-2-hydrazinyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-hydrazinyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID61437971
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC NameN-ethyl-2-hydrazinyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCCN(Cc1cccs1)S(=O)(=O)c1ccccc1NN
InChIInChI=1S/C13H17N3O2S2/c1-2-16(10-11-6-5-9-19-11)20(17,18)13-8-4-3-7-12(13)15-14/h3-9,15H,2,10,14H2,1H3
InChIKeyAYHQDVDIJWLEQZ-UHFFFAOYSA-N
XLogP2.24
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-hydrazinyl-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide
CID 61438022
4-N-ethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
CID 26530442
N-ethyl-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 60681457
5-amino-N-ethyl-2,4-difluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61113928
2-cyano-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide
CID 8801780
N-ethyl-4-(methylamino)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61437377
4-(aminomethyl)-N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 79179449
2-(aminomethyl)-N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 102920582
3-amino-5-chloro-N-ethyl-2-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 114379149
N-ethyl-4-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61437625
4-cyano-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 30171718
5-bromo-4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]furan-2-carboxylic acid
CID 62830397

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-hydrazinyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N-ethyl-2-hydrazinyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 61437971) is N-ethyl-2-hydrazinyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-2-hydrazinyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-2-hydrazinyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is CCN(Cc1cccs1)S(=O)(=O)c1ccccc1NN.
What is the InChIKey of N-ethyl-2-hydrazinyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is AYHQDVDIJWLEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-2-16(10-11-6-5-9-19-11)20(17,18)13-8-4-3-7-12(13)15-14/h3-9,15H,2,10,14H2,1H3.
What are the key properties of N-ethyl-2-hydrazinyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
N-ethyl-2-hydrazinyl-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 311.43 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-hydrazinyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 61437971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).