N-[2-[2-(4-chlorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide

C18H19ClN2O3S2 — CID 156602261

IUPACN-[2-[2-(4-chlorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide
SMILESO=C(Cc1ccc(Cl)cc1)N1CC2CC1CC2NS(=O)(=O)c1cccs1
InChIInChI=1S/C18H19ClN2O3S2/c19-14-5-3-12(4-6-14)8-17(22)21-11-13-9-15(21)10-16(13)20-26(23,24)18-2-1-7-25-18/h1-7,13,15-16,20H,8-11H2
InChIKeyBLUBSBVYRLHJJE-UHFFFAOYSA-N
MW410.95 g/mol
LogP2.91
Rot. Bonds5

About N-[2-[2-(4-chlorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide

N-[2-[2-(4-chlorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide (PubChem CID 156602261) has the molecular formula C18H19ClN2O3S2 and a molecular weight of 410.95 g/mol. Its IUPAC name is N-[2-[2-(4-chlorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[2-(4-chlorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide
PubChem CID156602261
Molecular FormulaC18H19ClN2O3S2
Molecular Weight410.95 g/mol
Exact Mass410.05
IUPAC NameN-[2-[2-(4-chlorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide
SMILESO=C(Cc1ccc(Cl)cc1)N1CC2CC1CC2NS(=O)(=O)c1cccs1
InChIInChI=1S/C18H19ClN2O3S2/c19-14-5-3-12(4-6-14)8-17(22)21-11-13-9-15(21)10-16(13)20-26(23,24)18-2-1-7-25-18/h1-7,13,15-16,20H,8-11H2
InChIKeyBLUBSBVYRLHJJE-UHFFFAOYSA-N
XLogP2.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.95
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-chlorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-[2-(4-chlorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide (CID 156602261) is N-[2-[2-(4-chlorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[2-(4-chlorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-[2-(4-chlorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide is O=C(Cc1ccc(Cl)cc1)N1CC2CC1CC2NS(=O)(=O)c1cccs1.
What is the InChIKey of N-[2-[2-(4-chlorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide?
The InChIKey is BLUBSBVYRLHJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S2/c19-14-5-3-12(4-6-14)8-17(22)21-11-13-9-15(21)10-16(13)20-26(23,24)18-2-1-7-25-18/h1-7,13,15-16,20H,8-11H2.
What are the key properties of N-[2-[2-(4-chlorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide?
N-[2-[2-(4-chlorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide has a molecular weight of 410.95 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-chlorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 156602261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).