N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-1-benzothiophene-3-sulfonamide

C15H17ClN2O2S2 — CID 119967921

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-1-benzothiophene-3-sulfonamide
SMILESO=S(=O)(NC1CC2CCC(C1)N2)c1csc2ccc(Cl)cc12
InChIInChI=1S/C15H17ClN2O2S2/c16-9-1-4-14-13(5-9)15(8-21-14)22(19,20)18-12-6-10-2-3-11(7-12)17-10/h1,4-5,8,10-12,17-18H,2-3,6-7H2
InChIKeyXPMDTVWYSCGZJE-UHFFFAOYSA-N
MW356.90 g/mol
LogP3.12
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-1-benzothiophene-3-sulfonamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-1-benzothiophene-3-sulfonamide (PubChem CID 119967921) has the molecular formula C15H17ClN2O2S2 and a molecular weight of 356.90 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-1-benzothiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-1-benzothiophene-3-sulfonamide
PubChem CID119967921
Molecular FormulaC15H17ClN2O2S2
Molecular Weight356.90 g/mol
Exact Mass356.04
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-1-benzothiophene-3-sulfonamide
SMILESO=S(=O)(NC1CC2CCC(C1)N2)c1csc2ccc(Cl)cc12
InChIInChI=1S/C15H17ClN2O2S2/c16-9-1-4-14-13(5-9)15(8-21-14)22(19,20)18-12-6-10-2-3-11(7-12)17-10/h1,4-5,8,10-12,17-18H,2-3,6-7H2
InChIKeyXPMDTVWYSCGZJE-UHFFFAOYSA-N
XLogP3.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.90
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-1-benzothiophene-3-sulfonamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-1-benzothiophene-3-sulfonamide (CID 119967921) is N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-1-benzothiophene-3-sulfonamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-1-benzothiophene-3-sulfonamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-1-benzothiophene-3-sulfonamide is O=S(=O)(NC1CC2CCC(C1)N2)c1csc2ccc(Cl)cc12.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-1-benzothiophene-3-sulfonamide?
The InChIKey is XPMDTVWYSCGZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S2/c16-9-1-4-14-13(5-9)15(8-21-14)22(19,20)18-12-6-10-2-3-11(7-12)17-10/h1,4-5,8,10-12,17-18H,2-3,6-7H2.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-1-benzothiophene-3-sulfonamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-1-benzothiophene-3-sulfonamide has a molecular weight of 356.90 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-1-benzothiophene-3-sulfonamide is sourced from PubChem (CID 119967921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).