N-[2-(3-chlorobenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide

C17H17ClN2O3S2 — CID 156602275

IUPACN-[2-(3-chlorobenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide
SMILESO=C(c1cccc(Cl)c1)N1CC2CC1CC2NS(=O)(=O)c1cccs1
InChIInChI=1S/C17H17ClN2O3S2/c18-13-4-1-3-11(7-13)17(21)20-10-12-8-14(20)9-15(12)19-25(22,23)16-5-2-6-24-16/h1-7,12,14-15,19H,8-10H2
InChIKeyLQJIUVYDKLGYRK-UHFFFAOYSA-N
MW396.92 g/mol
LogP2.98
Rot. Bonds4

About N-[2-(3-chlorobenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide

N-[2-(3-chlorobenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide (PubChem CID 156602275) has the molecular formula C17H17ClN2O3S2 and a molecular weight of 396.92 g/mol. Its IUPAC name is N-[2-(3-chlorobenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-chlorobenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide
PubChem CID156602275
Molecular FormulaC17H17ClN2O3S2
Molecular Weight396.92 g/mol
Exact Mass396.04
IUPAC NameN-[2-(3-chlorobenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide
SMILESO=C(c1cccc(Cl)c1)N1CC2CC1CC2NS(=O)(=O)c1cccs1
InChIInChI=1S/C17H17ClN2O3S2/c18-13-4-1-3-11(7-13)17(21)20-10-12-8-14(20)9-15(12)19-25(22,23)16-5-2-6-24-16/h1-7,12,14-15,19H,8-10H2
InChIKeyLQJIUVYDKLGYRK-UHFFFAOYSA-N
XLogP2.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorobenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(3-chlorobenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide (CID 156602275) is N-[2-(3-chlorobenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(3-chlorobenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(3-chlorobenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide is O=C(c1cccc(Cl)c1)N1CC2CC1CC2NS(=O)(=O)c1cccs1.
What is the InChIKey of N-[2-(3-chlorobenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide?
The InChIKey is LQJIUVYDKLGYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3S2/c18-13-4-1-3-11(7-13)17(21)20-10-12-8-14(20)9-15(12)19-25(22,23)16-5-2-6-24-16/h1-7,12,14-15,19H,8-10H2.
What are the key properties of N-[2-(3-chlorobenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide?
N-[2-(3-chlorobenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide has a molecular weight of 396.92 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorobenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 156602275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).