3-acetyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide

C11H16N2O5S2 — CID 43420736

IUPAC3-acetyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCCNS(C)(=O)=O)c1
InChIInChI=1S/C11H16N2O5S2/c1-9(14)10-4-3-5-11(8-10)20(17,18)13-7-6-12-19(2,15)16/h3-5,8,12-13H,6-7H2,1-2H3
InChIKeyJEMJHBBRJLFVEY-UHFFFAOYSA-N
MW320.39 g/mol
LogP-0.28
Rot. Bonds7

About 3-acetyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide

3-acetyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide (PubChem CID 43420736) has the molecular formula C11H16N2O5S2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-acetyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
PubChem CID43420736
Molecular FormulaC11H16N2O5S2
Molecular Weight320.39 g/mol
Exact Mass320.05
IUPAC Name3-acetyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCCNS(C)(=O)=O)c1
InChIInChI=1S/C11H16N2O5S2/c1-9(14)10-4-3-5-11(8-10)20(17,18)13-7-6-12-19(2,15)16/h3-5,8,12-13H,6-7H2,1-2H3
InChIKeyJEMJHBBRJLFVEY-UHFFFAOYSA-N
XLogP-0.28
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-acetyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride
CID 119960312
3-acetyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 43501553
3-acetyl-N-(2-ethoxyethyl)benzenesulfonamide
CID 43591526
3-acetyl-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 110787259
3-acetyl-N-(4-methylsulfanylbutyl)benzenesulfonamide
CID 115638737
3-acetyl-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide
CID 48629818
3-acetyl-N-[3-(diethylamino)propyl]benzenesulfonamide
CID 9266391
3-acetyl-N-(3-hydroxy-4,4-dimethylpentyl)benzenesulfonamide
CID 90523494
3-acetyl-N-[2-(3,4-dimethylphenyl)ethyl]benzenesulfonamide
CID 110787294
3-acetyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzenesulfonamide
CID 103834850
3-acetyl-N-(3,3-dimethyl-2-oxobutyl)benzenesulfonamide
CID 64994049
3-acetyl-N-(2-chloroprop-2-enyl)benzenesulfonamide
CID 115638669

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide (CID 43420736) is 3-acetyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)NCCNS(C)(=O)=O)c1.
What is the InChIKey of 3-acetyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide?
The InChIKey is JEMJHBBRJLFVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S2/c1-9(14)10-4-3-5-11(8-10)20(17,18)13-7-6-12-19(2,15)16/h3-5,8,12-13H,6-7H2,1-2H3.
What are the key properties of 3-acetyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide?
3-acetyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide has a molecular weight of 320.39 g/mol, XLogP of -0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide is sourced from PubChem (CID 43420736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).