5-chloro-N-[1-[2-(2,3-dichlorophenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide

C16H17Cl3N2O3S2 — CID 71458650

IUPAC5-chloro-N-[1-[2-(2,3-dichlorophenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCN(CCOc2cccc(Cl)c2Cl)C1)c1ccc(Cl)s1
InChIInChI=1S/C16H17Cl3N2O3S2/c17-12-2-1-3-13(16(12)19)24-9-8-21-7-6-11(10-21)20-26(22,23)15-5-4-14(18)25-15/h1-5,11,20H,6-10H2
InChIKeyAFYGMVTVTLNALM-UHFFFAOYSA-N
MW455.82 g/mol
LogP4.14
Rot. Bonds7

About 5-chloro-N-[1-[2-(2,3-dichlorophenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide

5-chloro-N-[1-[2-(2,3-dichlorophenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide (PubChem CID 71458650) has the molecular formula C16H17Cl3N2O3S2 and a molecular weight of 455.82 g/mol. Its IUPAC name is 5-chloro-N-[1-[2-(2,3-dichlorophenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[1-[2-(2,3-dichlorophenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
PubChem CID71458650
Molecular FormulaC16H17Cl3N2O3S2
Molecular Weight455.82 g/mol
Exact Mass453.97
IUPAC Name5-chloro-N-[1-[2-(2,3-dichlorophenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCN(CCOc2cccc(Cl)c2Cl)C1)c1ccc(Cl)s1
InChIInChI=1S/C16H17Cl3N2O3S2/c17-12-2-1-3-13(16(12)19)24-9-8-21-7-6-11(10-21)20-26(22,23)15-5-4-14(18)25-15/h1-5,11,20H,6-10H2
InChIKeyAFYGMVTVTLNALM-UHFFFAOYSA-N
XLogP4.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.82
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-[1-[2-(2,3-dichlorophenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide 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 5-chloro-N-[1-[2-(2,3-dichlorophenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[1-[2-(2,3-dichlorophenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide (CID 71458650) is 5-chloro-N-[1-[2-(2,3-dichlorophenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[1-[2-(2,3-dichlorophenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[1-[2-(2,3-dichlorophenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide is O=S(=O)(NC1CCN(CCOc2cccc(Cl)c2Cl)C1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[1-[2-(2,3-dichlorophenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide?
The InChIKey is AFYGMVTVTLNALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl3N2O3S2/c17-12-2-1-3-13(16(12)19)24-9-8-21-7-6-11(10-21)20-26(22,23)15-5-4-14(18)25-15/h1-5,11,20H,6-10H2.
What are the key properties of 5-chloro-N-[1-[2-(2,3-dichlorophenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide?
5-chloro-N-[1-[2-(2,3-dichlorophenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide has a molecular weight of 455.82 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-[2-(2,3-dichlorophenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 71458650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).