N,N-diethyl-4-sulfanylbenzenesulfonamide

C10H15NO2S2 — CID 15027344

IUPACN,N-diethyl-4-sulfanylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(S)cc1
InChIInChI=1S/C10H15NO2S2/c1-3-11(4-2)15(12,13)10-7-5-9(14)6-8-10/h5-8,14H,3-4H2,1-2H3
InChIKeyKIQMPICJKOKAPY-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.01
Rot. Bonds4

About N,N-diethyl-4-sulfanylbenzenesulfonamide

N,N-diethyl-4-sulfanylbenzenesulfonamide (PubChem CID 15027344) has the molecular formula C10H15NO2S2 and a molecular weight of 245.37 g/mol. Its IUPAC name is N,N-diethyl-4-sulfanylbenzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-sulfanylbenzenesulfonamide
PubChem CID15027344
Molecular FormulaC10H15NO2S2
Molecular Weight245.37 g/mol
Exact Mass245.05
IUPAC NameN,N-diethyl-4-sulfanylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(S)cc1
InChIInChI=1S/C10H15NO2S2/c1-3-11(4-2)15(12,13)10-7-5-9(14)6-8-10/h5-8,14H,3-4H2,1-2H3
InChIKeyKIQMPICJKOKAPY-UHFFFAOYSA-N
XLogP2.01
TPSA37.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N,N-diethyl-4-sulfanylbenzenesulfonamide 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

[4-(diethylsulfamoyl)phenyl]azanium
CID 163754929
4-(dimethylamino)-N,N-diethylbenzenesulfonamide
CID 11043368
N,N-diethyl-4-trimethylsilylbenzenesulfonamide
CID 11254658
[4-(diethylsulfamoyl)phenyl]methylazanium
CID 7129046
N,N-diethyl-4-(N-phenylanilino)benzenesulfonamide
CID 20654617
N,N-diethyl-4-(ethylaminomethyl)benzenesulfonamide
CID 28715770
4-(2-deuterioethynyl)-N,N-diethylbenzenesulfonamide
CID 163281778
N-[4-(diethylsulfamoyl)phenyl]sulfonylacetamide
CID 154139337
N-ethyl-4-methyl-N-propylbenzenesulfonamide
CID 91734520
4-bromo-N,N-diethyl-3-methoxybenzenesulfonamide
CID 850059
4-(2-amino-1,1,1,3,3,3-hexafluoropropan-2-yl)-N,N-diethylbenzenesulfonamide
CID 24996616
N,N-diethyl-4-prop-2-enoxybenzenesulfonamide
CID 141457908

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-sulfanylbenzenesulfonamide?
The IUPAC name of N,N-diethyl-4-sulfanylbenzenesulfonamide (CID 15027344) is N,N-diethyl-4-sulfanylbenzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-sulfanylbenzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-sulfanylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(S)cc1.
What is the InChIKey of N,N-diethyl-4-sulfanylbenzenesulfonamide?
The InChIKey is KIQMPICJKOKAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S2/c1-3-11(4-2)15(12,13)10-7-5-9(14)6-8-10/h5-8,14H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-4-sulfanylbenzenesulfonamide?
N,N-diethyl-4-sulfanylbenzenesulfonamide has a molecular weight of 245.37 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-sulfanylbenzenesulfonamide is sourced from PubChem (CID 15027344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).