N-(azetidin-3-yl)-N-ethyl-4-methylsulfonylbenzenesulfonamide

C12H18N2O4S2 — CID 66184477

IUPACN-(azetidin-3-yl)-N-ethyl-4-methylsulfonylbenzenesulfonamide
SMILESCCN(C1CNC1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C12H18N2O4S2/c1-3-14(10-8-13-9-10)20(17,18)12-6-4-11(5-7-12)19(2,15)16/h4-7,10,13H,3,8-9H2,1-2H3
InChIKeyDHLKTZGBTIZNRE-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.07
Rot. Bonds5

About N-(azetidin-3-yl)-N-ethyl-4-methylsulfonylbenzenesulfonamide

N-(azetidin-3-yl)-N-ethyl-4-methylsulfonylbenzenesulfonamide (PubChem CID 66184477) has the molecular formula C12H18N2O4S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N-ethyl-4-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N-ethyl-4-methylsulfonylbenzenesulfonamide
PubChem CID66184477
Molecular FormulaC12H18N2O4S2
Molecular Weight318.42 g/mol
Exact Mass318.07
IUPAC NameN-(azetidin-3-yl)-N-ethyl-4-methylsulfonylbenzenesulfonamide
SMILESCCN(C1CNC1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C12H18N2O4S2/c1-3-14(10-8-13-9-10)20(17,18)12-6-4-11(5-7-12)19(2,15)16/h4-7,10,13H,3,8-9H2,1-2H3
InChIKeyDHLKTZGBTIZNRE-UHFFFAOYSA-N
XLogP0.07
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(azetidin-3-yl)-N-ethyl-4-methylsulfonylbenzenesulfonamide 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

N-(azetidin-3-yl)-N-ethyl-4-iodobenzenesulfonamide
CID 66183635
N-(azetidin-3-yl)-N-ethyl-2-fluoro-5-methylsulfonylbenzenesulfonamide
CID 66183403
N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60806159
N-(azetidin-3-yl)-4-iodo-N-propylbenzenesulfonamide
CID 66216683
N,4-diethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55205527
4-chloro-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299171
N-(azetidin-3-yl)-N-ethyl-4-methylsulfonylbenzamide
CID 66184040
N-(azetidin-3-yl)-N-ethyl-4-hydroxy-3-nitrobenzenesulfonamide
CID 66184709
N-(azetidin-3-yl)-N-ethyl-4-fluoro-3-nitrobenzenesulfonamide
CID 66184704
4-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299749
N-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzenesulfonamide
CID 63299124
N-(azetidin-3-yl)-3-cyano-N-ethylbenzenesulfonamide
CID 66183415

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-N-ethyl-4-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-(azetidin-3-yl)-N-ethyl-4-methylsulfonylbenzenesulfonamide (CID 66184477) is N-(azetidin-3-yl)-N-ethyl-4-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-(azetidin-3-yl)-N-ethyl-4-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-(azetidin-3-yl)-N-ethyl-4-methylsulfonylbenzenesulfonamide is CCN(C1CNC1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-(azetidin-3-yl)-N-ethyl-4-methylsulfonylbenzenesulfonamide?
The InChIKey is DHLKTZGBTIZNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S2/c1-3-14(10-8-13-9-10)20(17,18)12-6-4-11(5-7-12)19(2,15)16/h4-7,10,13H,3,8-9H2,1-2H3.
What are the key properties of N-(azetidin-3-yl)-N-ethyl-4-methylsulfonylbenzenesulfonamide?
N-(azetidin-3-yl)-N-ethyl-4-methylsulfonylbenzenesulfonamide has a molecular weight of 318.42 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-N-ethyl-4-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 66184477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).