5-chloro-N-[1-[2-(2-methylsulfanylphenoxy)ethyl]piperidin-4-yl]thiophene-2-sulfonamide

C18H23ClN2O3S3 — CID 71458623

IUPAC5-chloro-N-[1-[2-(2-methylsulfanylphenoxy)ethyl]piperidin-4-yl]thiophene-2-sulfonamide
SMILESCSc1ccccc1OCCN1CCC(NS(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C18H23ClN2O3S3/c1-25-16-5-3-2-4-15(16)24-13-12-21-10-8-14(9-11-21)20-27(22,23)18-7-6-17(19)26-18/h2-7,14,20H,8-13H2,1H3
InChIKeyQUVFEIAGJQJKEC-UHFFFAOYSA-N
MW447.05 g/mol
LogP3.95
Rot. Bonds8

About 5-chloro-N-[1-[2-(2-methylsulfanylphenoxy)ethyl]piperidin-4-yl]thiophene-2-sulfonamide

5-chloro-N-[1-[2-(2-methylsulfanylphenoxy)ethyl]piperidin-4-yl]thiophene-2-sulfonamide (PubChem CID 71458623) has the molecular formula C18H23ClN2O3S3 and a molecular weight of 447.05 g/mol. Its IUPAC name is 5-chloro-N-[1-[2-(2-methylsulfanylphenoxy)ethyl]piperidin-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[1-[2-(2-methylsulfanylphenoxy)ethyl]piperidin-4-yl]thiophene-2-sulfonamide
PubChem CID71458623
Molecular FormulaC18H23ClN2O3S3
Molecular Weight447.05 g/mol
Exact Mass446.06
IUPAC Name5-chloro-N-[1-[2-(2-methylsulfanylphenoxy)ethyl]piperidin-4-yl]thiophene-2-sulfonamide
SMILESCSc1ccccc1OCCN1CCC(NS(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C18H23ClN2O3S3/c1-25-16-5-3-2-4-15(16)24-13-12-21-10-8-14(9-11-21)20-27(22,23)18-7-6-17(19)26-18/h2-7,14,20H,8-13H2,1H3
InChIKeyQUVFEIAGJQJKEC-UHFFFAOYSA-N
XLogP3.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.05
LogP ≤ 53.95
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-phenoxyethyl)pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 71449642
3-chloro-N-[[1-[2-(2-methylsulfanylphenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide
CID 71451455
3-chloro-N-[1-[2-(2-methylsulfanylphenoxy)ethyl]pyrrolidin-3-yl]benzenesulfonamide
CID 71451458
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
5-chloro-N-[1-[2-(2-methylsulfanylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 71458625
1-[2-(4-Chlorophenoxy)ethyl]-4-thiophen-2-ylsulfonylpiperazine
CID 8745125
5-chloro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 127037680
CID 134789020
CID 134789020
5-chloro-N-(2-phenoxyethyl)thiophene-2-sulfonamide
CID 3749462
1-(5-Chlorothiophen-2-yl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazine
CID 4882065

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-[2-(2-methylsulfanylphenoxy)ethyl]piperidin-4-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[1-[2-(2-methylsulfanylphenoxy)ethyl]piperidin-4-yl]thiophene-2-sulfonamide (CID 71458623) is 5-chloro-N-[1-[2-(2-methylsulfanylphenoxy)ethyl]piperidin-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[1-[2-(2-methylsulfanylphenoxy)ethyl]piperidin-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[1-[2-(2-methylsulfanylphenoxy)ethyl]piperidin-4-yl]thiophene-2-sulfonamide is CSc1ccccc1OCCN1CCC(NS(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 5-chloro-N-[1-[2-(2-methylsulfanylphenoxy)ethyl]piperidin-4-yl]thiophene-2-sulfonamide?
The InChIKey is QUVFEIAGJQJKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O3S3/c1-25-16-5-3-2-4-15(16)24-13-12-21-10-8-14(9-11-21)20-27(22,23)18-7-6-17(19)26-18/h2-7,14,20H,8-13H2,1H3.
What are the key properties of 5-chloro-N-[1-[2-(2-methylsulfanylphenoxy)ethyl]piperidin-4-yl]thiophene-2-sulfonamide?
5-chloro-N-[1-[2-(2-methylsulfanylphenoxy)ethyl]piperidin-4-yl]thiophene-2-sulfonamide has a molecular weight of 447.05 g/mol, XLogP of 3.95, 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]piperidin-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 71458623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).