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

C19H25ClN2O3S2 — CID 71449629

IUPAC5-chloro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
SMILESCC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C19H25ClN2O3S2/c1-14(2)16-5-3-4-6-17(16)25-12-11-22-10-9-15(13-22)21-27(23,24)19-8-7-18(20)26-19/h3-8,14-15,21H,9-13H2,1-2H3
InChIKeyWIMXOLDVKJDYQI-UHFFFAOYSA-N
MW429.01 g/mol
LogP3.96
Rot. Bonds8

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

5-chloro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide (PubChem CID 71449629) has the molecular formula C19H25ClN2O3S2 and a molecular weight of 429.01 g/mol. Its IUPAC name is 5-chloro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
PubChem CID71449629
Molecular FormulaC19H25ClN2O3S2
Molecular Weight429.01 g/mol
Exact Mass428.10
IUPAC Name5-chloro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
SMILESCC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C19H25ClN2O3S2/c1-14(2)16-5-3-4-6-17(16)25-12-11-22-10-9-15(13-22)21-27(23,24)19-8-7-18(20)26-19/h3-8,14-15,21H,9-13H2,1-2H3
InChIKeyWIMXOLDVKJDYQI-UHFFFAOYSA-N
XLogP3.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.01
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[5-[2-(2-methylpyrrolidin-1-yl)ethoxy]-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]thiophene-2-sulfonamide
CID 44388765
5-chloro-N-[5-(2-piperidin-1-ylethoxy)-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]thiophene-2-sulfonamide
CID 44391880
5-chloro-N-[5-[2-(2-methylpiperidin-1-yl)ethoxy]-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]thiophene-2-sulfonamide
CID 44391894
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
N-[1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 71451457
5-chloro-N-[(3R)-1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 71451459
5-chloro-N-[(3R)-1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 71451460
5-chloro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 71453252
5-chloro-N-[1-[2-(2,5-dichlorophenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 71453279
3-chloro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]benzenesulfonamide
CID 71453281
5-chloro-N-[(3S)-1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 71453282

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide (CID 71449629) is 5-chloro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide is CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2ccc(Cl)s2)C1.
What is the InChIKey of 5-chloro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide?
The InChIKey is WIMXOLDVKJDYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O3S2/c1-14(2)16-5-3-4-6-17(16)25-12-11-22-10-9-15(13-22)21-27(23,24)19-8-7-18(20)26-19/h3-8,14-15,21H,9-13H2,1-2H3.
What are the key properties of 5-chloro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide?
5-chloro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide has a molecular weight of 429.01 g/mol, XLogP of 3.96, 8 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-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 71449629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).