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

C17H21ClN2O3S3 — CID 71458625

IUPAC5-chloro-N-[1-[2-(2-methylsulfanylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
SMILESCSc1ccccc1OCCN1CCC(NS(=O)(=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C17H21ClN2O3S3/c1-24-15-5-3-2-4-14(15)23-11-10-20-9-8-13(12-20)19-26(21,22)17-7-6-16(18)25-17/h2-7,13,19H,8-12H2,1H3
InChIKeyFFHGQHXJBFARGL-UHFFFAOYSA-N
MW433.02 g/mol
LogP3.56
Rot. Bonds8

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

5-chloro-N-[1-[2-(2-methylsulfanylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide (PubChem CID 71458625) has the molecular formula C17H21ClN2O3S3 and a molecular weight of 433.02 g/mol. Its IUPAC name is 5-chloro-N-[1-[2-(2-methylsulfanylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[1-[2-(2-methylsulfanylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
PubChem CID71458625
Molecular FormulaC17H21ClN2O3S3
Molecular Weight433.02 g/mol
Exact Mass432.04
IUPAC Name5-chloro-N-[1-[2-(2-methylsulfanylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
SMILESCSc1ccccc1OCCN1CCC(NS(=O)(=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C17H21ClN2O3S3/c1-24-15-5-3-2-4-14(15)23-11-10-20-9-8-13(12-20)19-26(21,22)17-7-6-16(18)25-17/h2-7,13,19H,8-12H2,1H3
InChIKeyFFHGQHXJBFARGL-UHFFFAOYSA-N
XLogP3.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.02
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-[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
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
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-(2-methylsulfanylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[1-[2-(2-methylsulfanylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide (CID 71458625) is 5-chloro-N-[1-[2-(2-methylsulfanylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[1-[2-(2-methylsulfanylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[1-[2-(2-methylsulfanylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide is CSc1ccccc1OCCN1CCC(NS(=O)(=O)c2ccc(Cl)s2)C1.
What is the InChIKey of 5-chloro-N-[1-[2-(2-methylsulfanylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide?
The InChIKey is FFHGQHXJBFARGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O3S3/c1-24-15-5-3-2-4-14(15)23-11-10-20-9-8-13(12-20)19-26(21,22)17-7-6-16(18)25-17/h2-7,13,19H,8-12H2,1H3.
What are the key properties of 5-chloro-N-[1-[2-(2-methylsulfanylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide?
5-chloro-N-[1-[2-(2-methylsulfanylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide has a molecular weight of 433.02 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-[2-(2-methylsulfanylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 71458625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).