5-bromo-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide

C15H19BrN2O2S3 — CID 71787119

IUPAC5-bromo-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCN1CCC(c2cccs2)CC1)c1ccc(Br)s1
InChIInChI=1S/C15H19BrN2O2S3/c16-14-3-4-15(22-14)23(19,20)17-7-10-18-8-5-12(6-9-18)13-2-1-11-21-13/h1-4,11-12,17H,5-10H2
InChIKeyCLZQKOVSUIFGHW-UHFFFAOYSA-N
MW435.43 g/mol
LogP3.73
Rot. Bonds6

About 5-bromo-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide

5-bromo-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 71787119) has the molecular formula C15H19BrN2O2S3 and a molecular weight of 435.43 g/mol. Its IUPAC name is 5-bromo-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide
PubChem CID71787119
Molecular FormulaC15H19BrN2O2S3
Molecular Weight435.43 g/mol
Exact Mass433.98
IUPAC Name5-bromo-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCN1CCC(c2cccs2)CC1)c1ccc(Br)s1
InChIInChI=1S/C15H19BrN2O2S3/c16-14-3-4-15(22-14)23(19,20)17-7-10-18-8-5-12(6-9-18)13-2-1-11-21-13/h1-4,11-12,17H,5-10H2
InChIKeyCLZQKOVSUIFGHW-UHFFFAOYSA-N
XLogP3.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide (CID 71787119) is 5-bromo-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide is O=S(=O)(NCCN1CCC(c2cccs2)CC1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is CLZQKOVSUIFGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2S3/c16-14-3-4-15(22-14)23(19,20)17-7-10-18-8-5-12(6-9-18)13-2-1-11-21-13/h1-4,11-12,17H,5-10H2.
What are the key properties of 5-bromo-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide?
5-bromo-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 435.43 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 71787119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).