N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,5-dichlorothiophene-3-sulfonamide

C10H12Cl2N2O3S2 — CID 66196339

IUPACN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,5-dichlorothiophene-3-sulfonamide
SMILESNC1C2CCOC2C1NS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H12Cl2N2O3S2/c11-6-3-5(10(12)18-6)19(15,16)14-8-7(13)4-1-2-17-9(4)8/h3-4,7-9,14H,1-2,13H2
InChIKeyJEHHPKPHBALEDJ-UHFFFAOYSA-N
MW343.26 g/mol
LogP1.45
Rot. Bonds3

About N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,5-dichlorothiophene-3-sulfonamide

N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,5-dichlorothiophene-3-sulfonamide (PubChem CID 66196339) has the molecular formula C10H12Cl2N2O3S2 and a molecular weight of 343.26 g/mol. Its IUPAC name is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,5-dichlorothiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,5-dichlorothiophene-3-sulfonamide
PubChem CID66196339
Molecular FormulaC10H12Cl2N2O3S2
Molecular Weight343.26 g/mol
Exact Mass341.97
IUPAC NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,5-dichlorothiophene-3-sulfonamide
SMILESNC1C2CCOC2C1NS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H12Cl2N2O3S2/c11-6-3-5(10(12)18-6)19(15,16)14-8-7(13)4-1-2-17-9(4)8/h3-4,7-9,14H,1-2,13H2
InChIKeyJEHHPKPHBALEDJ-UHFFFAOYSA-N
XLogP1.45
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,5-dichlorothiophene-3-sulfonamide?
The IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,5-dichlorothiophene-3-sulfonamide (CID 66196339) is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,5-dichlorothiophene-3-sulfonamide.
What is the SMILES notation for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,5-dichlorothiophene-3-sulfonamide?
The canonical SMILES for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,5-dichlorothiophene-3-sulfonamide is NC1C2CCOC2C1NS(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,5-dichlorothiophene-3-sulfonamide?
The InChIKey is JEHHPKPHBALEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O3S2/c11-6-3-5(10(12)18-6)19(15,16)14-8-7(13)4-1-2-17-9(4)8/h3-4,7-9,14H,1-2,13H2.
What are the key properties of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,5-dichlorothiophene-3-sulfonamide?
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,5-dichlorothiophene-3-sulfonamide has a molecular weight of 343.26 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,5-dichlorothiophene-3-sulfonamide is sourced from PubChem (CID 66196339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).