5-chloro-2-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzenesulfonamide

C18H23ClN2O3S2 — CID 71787116

IUPAC5-chloro-2-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCCN1CCC(c2cccs2)CC1
InChIInChI=1S/C18H23ClN2O3S2/c1-24-16-5-4-15(19)13-18(16)26(22,23)20-8-11-21-9-6-14(7-10-21)17-3-2-12-25-17/h2-5,12-14,20H,6-11H2,1H3
InChIKeyVBSCEWJLVUZIEK-UHFFFAOYSA-N
MW414.98 g/mol
LogP3.57
Rot. Bonds7

About 5-chloro-2-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzenesulfonamide

5-chloro-2-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzenesulfonamide (PubChem CID 71787116) has the molecular formula C18H23ClN2O3S2 and a molecular weight of 414.98 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzenesulfonamide
PubChem CID71787116
Molecular FormulaC18H23ClN2O3S2
Molecular Weight414.98 g/mol
Exact Mass414.08
IUPAC Name5-chloro-2-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCCN1CCC(c2cccs2)CC1
InChIInChI=1S/C18H23ClN2O3S2/c1-24-16-5-4-15(19)13-18(16)26(22,23)20-8-11-21-9-6-14(7-10-21)17-3-2-12-25-17/h2-5,12-14,20H,6-11H2,1H3
InChIKeyVBSCEWJLVUZIEK-UHFFFAOYSA-N
XLogP3.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.98
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzenesulfonamide (CID 71787116) is 5-chloro-2-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)NCCN1CCC(c2cccs2)CC1.
What is the InChIKey of 5-chloro-2-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is VBSCEWJLVUZIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O3S2/c1-24-16-5-4-15(19)13-18(16)26(22,23)20-8-11-21-9-6-14(7-10-21)17-3-2-12-25-17/h2-5,12-14,20H,6-11H2,1H3.
What are the key properties of 5-chloro-2-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzenesulfonamide?
5-chloro-2-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 414.98 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 71787116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).