5-chloro-N-[1-(2-phenoxyethyl)pyrrolidin-3-yl]thiophene-2-sulfonamide

C16H19ClN2O3S2 — CID 71449642

IUPAC5-chloro-N-[1-(2-phenoxyethyl)pyrrolidin-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCN(CCOc2ccccc2)C1)c1ccc(Cl)s1
InChIInChI=1S/C16H19ClN2O3S2/c17-15-6-7-16(23-15)24(20,21)18-13-8-9-19(12-13)10-11-22-14-4-2-1-3-5-14/h1-7,13,18H,8-12H2
InChIKeyALMBNZHSWURVRM-UHFFFAOYSA-N
MW386.93 g/mol
LogP2.83
Rot. Bonds7

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

5-chloro-N-[1-(2-phenoxyethyl)pyrrolidin-3-yl]thiophene-2-sulfonamide (PubChem CID 71449642) has the molecular formula C16H19ClN2O3S2 and a molecular weight of 386.93 g/mol. Its IUPAC name is 5-chloro-N-[1-(2-phenoxyethyl)pyrrolidin-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[1-(2-phenoxyethyl)pyrrolidin-3-yl]thiophene-2-sulfonamide
PubChem CID71449642
Molecular FormulaC16H19ClN2O3S2
Molecular Weight386.93 g/mol
Exact Mass386.05
IUPAC Name5-chloro-N-[1-(2-phenoxyethyl)pyrrolidin-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCN(CCOc2ccccc2)C1)c1ccc(Cl)s1
InChIInChI=1S/C16H19ClN2O3S2/c17-15-6-7-16(23-15)24(20,21)18-13-8-9-19(12-13)10-11-22-14-4-2-1-3-5-14/h1-7,13,18H,8-12H2
InChIKeyALMBNZHSWURVRM-UHFFFAOYSA-N
XLogP2.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.93
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-phenoxyethyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 55479093
5-chloro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 71449629
5-chloro-N-[(3S)-1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 71449645
3-chloro-N-[1-[2-(2-methylsulfanylphenoxy)ethyl]pyrrolidin-3-yl]benzenesulfonamide
CID 71451458
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-(2,5-dichlorophenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 71453279
5-chloro-N-[(3S)-1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 71453282
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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(2-phenoxyethyl)pyrrolidin-3-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[1-(2-phenoxyethyl)pyrrolidin-3-yl]thiophene-2-sulfonamide (CID 71449642) is 5-chloro-N-[1-(2-phenoxyethyl)pyrrolidin-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[1-(2-phenoxyethyl)pyrrolidin-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[1-(2-phenoxyethyl)pyrrolidin-3-yl]thiophene-2-sulfonamide is O=S(=O)(NC1CCN(CCOc2ccccc2)C1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[1-(2-phenoxyethyl)pyrrolidin-3-yl]thiophene-2-sulfonamide?
The InChIKey is ALMBNZHSWURVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3S2/c17-15-6-7-16(23-15)24(20,21)18-13-8-9-19(12-13)10-11-22-14-4-2-1-3-5-14/h1-7,13,18H,8-12H2.
What are the key properties of 5-chloro-N-[1-(2-phenoxyethyl)pyrrolidin-3-yl]thiophene-2-sulfonamide?
5-chloro-N-[1-(2-phenoxyethyl)pyrrolidin-3-yl]thiophene-2-sulfonamide has a molecular weight of 386.93 g/mol, XLogP of 2.83, 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-phenoxyethyl)pyrrolidin-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 71449642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).