4-hydrazinyl-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide

C12H15N3O2S2 — CID 43528511

IUPAC4-hydrazinyl-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
SMILESCN(Cc1ccsc1)S(=O)(=O)c1ccc(NN)cc1
InChIInChI=1S/C12H15N3O2S2/c1-15(8-10-6-7-18-9-10)19(16,17)12-4-2-11(14-13)3-5-12/h2-7,9,14H,8,13H2,1H3
InChIKeyYPVGCITWVQYPPM-UHFFFAOYSA-N
MW297.41 g/mol
LogP1.85
Rot. Bonds5

About 4-hydrazinyl-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide

4-hydrazinyl-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide (PubChem CID 43528511) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.41 g/mol. Its IUPAC name is 4-hydrazinyl-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-hydrazinyl-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
PubChem CID43528511
Molecular FormulaC12H15N3O2S2
Molecular Weight297.41 g/mol
Exact Mass297.06
IUPAC Name4-hydrazinyl-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
SMILESCN(Cc1ccsc1)S(=O)(=O)c1ccc(NN)cc1
InChIInChI=1S/C12H15N3O2S2/c1-15(8-10-6-7-18-9-10)19(16,17)12-4-2-11(14-13)3-5-12/h2-7,9,14H,8,13H2,1H3
InChIKeyYPVGCITWVQYPPM-UHFFFAOYSA-N
XLogP1.85
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 51.85
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-methyl-4-(methylamino)-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 43528516
4-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 43528520
N-[(3-chlorophenyl)methyl]-4-hydrazinyl-N-methylbenzenesulfonamide
CID 61417227
4-amino-3-chloro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 115329710
2-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-sulfonamide
CID 43528240
N-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421876
3-amino-4-fluoro-N,5-dimethyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 115421234
4-hydrazinyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63837844
2-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 81241113
N-(cyclopropylmethyl)-4-hydrazinyl-N-methylbenzenesulfonamide
CID 60985675
3-(aminomethyl)-4-chloro-5-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 81452712
3-(1-hydroxyethyl)-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 43528546

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-hydrazinyl-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide (CID 43528511) is 4-hydrazinyl-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-hydrazinyl-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-hydrazinyl-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide is CN(Cc1ccsc1)S(=O)(=O)c1ccc(NN)cc1.
What is the InChIKey of 4-hydrazinyl-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The InChIKey is YPVGCITWVQYPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c1-15(8-10-6-7-18-9-10)19(16,17)12-4-2-11(14-13)3-5-12/h2-7,9,14H,8,13H2,1H3.
What are the key properties of 4-hydrazinyl-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide?
4-hydrazinyl-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide has a molecular weight of 297.41 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 43528511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).