4-hydrazinyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide

C9H16N4O4S2 — CID 43546298

IUPAC4-hydrazinyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
SMILESCS(=O)(=O)NCCNS(=O)(=O)c1ccc(NN)cc1
InChIInChI=1S/C9H16N4O4S2/c1-18(14,15)11-6-7-12-19(16,17)9-4-2-8(13-10)3-5-9/h2-5,11-13H,6-7,10H2,1H3
InChIKeyCWYMMDDDBRAETE-UHFFFAOYSA-N
MW308.39 g/mol
LogP-1.20
Rot. Bonds7

About 4-hydrazinyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide

4-hydrazinyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide (PubChem CID 43546298) has the molecular formula C9H16N4O4S2 and a molecular weight of 308.39 g/mol. Its IUPAC name is 4-hydrazinyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-hydrazinyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
PubChem CID43546298
Molecular FormulaC9H16N4O4S2
Molecular Weight308.39 g/mol
Exact Mass308.06
IUPAC Name4-hydrazinyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
SMILESCS(=O)(=O)NCCNS(=O)(=O)c1ccc(NN)cc1
InChIInChI=1S/C9H16N4O4S2/c1-18(14,15)11-6-7-12-19(16,17)9-4-2-8(13-10)3-5-9/h2-5,11-13H,6-7,10H2,1H3
InChIKeyCWYMMDDDBRAETE-UHFFFAOYSA-N
XLogP-1.20
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 5-1.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43545911
N-(2-ethoxyethyl)-4-hydrazinylbenzenesulfonamide
CID 43591531
4-(2-aminoethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 79185763
4-(1-aminoethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43546293
N-(2,2-dimethylpropyl)-4-hydrazinylbenzenesulfonamide
CID 61168465
4-hydrazinyl-N-(2-phenylethyl)benzenesulfonamide
CID 43454992
4-(1-hydroxyethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43546344
4-hydrazinyl-N-[2-(methanesulfonamido)ethyl]-2,6-dimethylbenzenesulfonamide
CID 107327862
4-hydrazinyl-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 19844131
2-[(4-hydrazinylphenyl)sulfonylamino]acetamide
CID 43545768
4-hydrazinyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 43454892
4-(methanesulfonamido)-N-propylbenzenesulfonamide
CID 6458395

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide?
The IUPAC name of 4-hydrazinyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide (CID 43546298) is 4-hydrazinyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-hydrazinyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide?
The canonical SMILES for 4-hydrazinyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide is CS(=O)(=O)NCCNS(=O)(=O)c1ccc(NN)cc1.
What is the InChIKey of 4-hydrazinyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide?
The InChIKey is CWYMMDDDBRAETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O4S2/c1-18(14,15)11-6-7-12-19(16,17)9-4-2-8(13-10)3-5-9/h2-5,11-13H,6-7,10H2,1H3.
What are the key properties of 4-hydrazinyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide?
4-hydrazinyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide has a molecular weight of 308.39 g/mol, XLogP of -1.20, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide is sourced from PubChem (CID 43546298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).