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

C16H17Cl3N2O3S2 — CID 71453279

IUPAC5-chloro-N-[1-[2-(2,5-dichlorophenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCN(CCOc2cc(Cl)ccc2Cl)C1)c1ccc(Cl)s1
InChIInChI=1S/C16H17Cl3N2O3S2/c17-11-1-2-13(18)14(9-11)24-8-7-21-6-5-12(10-21)20-26(22,23)16-4-3-15(19)25-16/h1-4,9,12,20H,5-8,10H2
InChIKeyISKSUBAAYHUDJC-UHFFFAOYSA-N
MW455.82 g/mol
LogP4.14
Rot. Bonds7

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

5-chloro-N-[1-[2-(2,5-dichlorophenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide (PubChem CID 71453279) has the molecular formula C16H17Cl3N2O3S2 and a molecular weight of 455.82 g/mol. Its IUPAC name is 5-chloro-N-[1-[2-(2,5-dichlorophenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[1-[2-(2,5-dichlorophenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
PubChem CID71453279
Molecular FormulaC16H17Cl3N2O3S2
Molecular Weight455.82 g/mol
Exact Mass453.97
IUPAC Name5-chloro-N-[1-[2-(2,5-dichlorophenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCN(CCOc2cc(Cl)ccc2Cl)C1)c1ccc(Cl)s1
InChIInChI=1S/C16H17Cl3N2O3S2/c17-11-1-2-13(18)14(9-11)24-8-7-21-6-5-12(10-21)20-26(22,23)16-4-3-15(19)25-16/h1-4,9,12,20H,5-8,10H2
InChIKeyISKSUBAAYHUDJC-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

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Related Compounds

5-chloro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 71449629
5-chloro-N-[1-(2-phenoxyethyl)pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 71449642
5-chloro-N-[(3S)-1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 71449645
5-chloro-N-[(3R)-1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 71451459
N-[1-[2-(2,5-dichlorophenoxy)ethyl]pyrrolidin-3-yl]-3,4-difluorobenzenesulfonamide
CID 71456779
5-chloro-N-[1-[2-(2-methylsulfanylphenoxy)ethyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 71458623
5-chloro-N-[1-[2-(2-methylsulfanylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 71458625
N-[1-[2-(3-fluorophenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 71458649
5-chloro-N-[1-[2-(2,3-dichlorophenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 71458650
(2S)-1-(2,5-dichlorophenoxy)-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-2-ol
CID 2089134
(2R)-1-(2,5-dichlorophenoxy)-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-2-ol
CID 2089136
5-chloro-N-[2-(2-chlorophenoxy)ethyl]thiophene-2-sulfonamide
CID 4916594

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-[2-(2,5-dichlorophenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[1-[2-(2,5-dichlorophenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide (CID 71453279) is 5-chloro-N-[1-[2-(2,5-dichlorophenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[1-[2-(2,5-dichlorophenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[1-[2-(2,5-dichlorophenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide is O=S(=O)(NC1CCN(CCOc2cc(Cl)ccc2Cl)C1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[1-[2-(2,5-dichlorophenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide?
The InChIKey is ISKSUBAAYHUDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl3N2O3S2/c17-11-1-2-13(18)14(9-11)24-8-7-21-6-5-12(10-21)20-26(22,23)16-4-3-15(19)25-16/h1-4,9,12,20H,5-8,10H2.
What are the key properties of 5-chloro-N-[1-[2-(2,5-dichlorophenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide?
5-chloro-N-[1-[2-(2,5-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-(2,5-dichlorophenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 71453279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).