N,N-diethyl-3-(2-methylindolizine-3-carbonyl)benzenesulfonamide

C20H22N2O3S — CID 2309224

IUPACN,N-diethyl-3-(2-methylindolizine-3-carbonyl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)c2c(C)cc3ccccn23)c1
InChIInChI=1S/C20H22N2O3S/c1-4-21(5-2)26(24,25)18-11-8-9-16(14-18)20(23)19-15(3)13-17-10-6-7-12-22(17)19/h6-14H,4-5H2,1-3H3
InChIKeyGSMJBXFXKOMQPV-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.51
Rot. Bonds6

About N,N-diethyl-3-(2-methylindolizine-3-carbonyl)benzenesulfonamide

N,N-diethyl-3-(2-methylindolizine-3-carbonyl)benzenesulfonamide (PubChem CID 2309224) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N,N-diethyl-3-(2-methylindolizine-3-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-3-(2-methylindolizine-3-carbonyl)benzenesulfonamide
PubChem CID2309224
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN,N-diethyl-3-(2-methylindolizine-3-carbonyl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)c2c(C)cc3ccccn23)c1
InChIInChI=1S/C20H22N2O3S/c1-4-21(5-2)26(24,25)18-11-8-9-16(14-18)20(23)19-15(3)13-17-10-6-7-12-22(17)19/h6-14H,4-5H2,1-3H3
InChIKeyGSMJBXFXKOMQPV-UHFFFAOYSA-N
XLogP3.51
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-diethyl-3-(2-methylindolizine-3-carbonyl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(2-methylindolizine-3-carbonyl)benzenesulfonamide?
The IUPAC name of N,N-diethyl-3-(2-methylindolizine-3-carbonyl)benzenesulfonamide (CID 2309224) is N,N-diethyl-3-(2-methylindolizine-3-carbonyl)benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-3-(2-methylindolizine-3-carbonyl)benzenesulfonamide?
The canonical SMILES for N,N-diethyl-3-(2-methylindolizine-3-carbonyl)benzenesulfonamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)c2c(C)cc3ccccn23)c1.
What is the InChIKey of N,N-diethyl-3-(2-methylindolizine-3-carbonyl)benzenesulfonamide?
The InChIKey is GSMJBXFXKOMQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-4-21(5-2)26(24,25)18-11-8-9-16(14-18)20(23)19-15(3)13-17-10-6-7-12-22(17)19/h6-14H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-3-(2-methylindolizine-3-carbonyl)benzenesulfonamide?
N,N-diethyl-3-(2-methylindolizine-3-carbonyl)benzenesulfonamide has a molecular weight of 370.47 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(2-methylindolizine-3-carbonyl)benzenesulfonamide is sourced from PubChem (CID 2309224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).