N-(1H-imidazol-2-ylsulfonyl)bicyclo[2.2.1]heptane-1-carboxamide

C11H15N3O3S — CID 154869034

IUPACN-(1H-imidazol-2-ylsulfonyl)bicyclo[2.2.1]heptane-1-carboxamide
SMILESO=C(NS(=O)(=O)c1ncc[nH]1)C12CCC(CC1)C2
InChIInChI=1S/C11H15N3O3S/c15-9(11-3-1-8(7-11)2-4-11)14-18(16,17)10-12-5-6-13-10/h5-6,8H,1-4,7H2,(H,12,13)(H,14,15)
InChIKeyAZOPJAPCCBQGMG-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.79
Rot. Bonds3

About N-(1H-imidazol-2-ylsulfonyl)bicyclo[2.2.1]heptane-1-carboxamide

N-(1H-imidazol-2-ylsulfonyl)bicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 154869034) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylsulfonyl)bicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylsulfonyl)bicyclo[2.2.1]heptane-1-carboxamide
PubChem CID154869034
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC NameN-(1H-imidazol-2-ylsulfonyl)bicyclo[2.2.1]heptane-1-carboxamide
SMILESO=C(NS(=O)(=O)c1ncc[nH]1)C12CCC(CC1)C2
InChIInChI=1S/C11H15N3O3S/c15-9(11-3-1-8(7-11)2-4-11)14-18(16,17)10-12-5-6-13-10/h5-6,8H,1-4,7H2,(H,12,13)(H,14,15)
InChIKeyAZOPJAPCCBQGMG-UHFFFAOYSA-N
XLogP0.79
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylsulfonyl)bicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of N-(1H-imidazol-2-ylsulfonyl)bicyclo[2.2.1]heptane-1-carboxamide (CID 154869034) is N-(1H-imidazol-2-ylsulfonyl)bicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-ylsulfonyl)bicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-ylsulfonyl)bicyclo[2.2.1]heptane-1-carboxamide is O=C(NS(=O)(=O)c1ncc[nH]1)C12CCC(CC1)C2.
What is the InChIKey of N-(1H-imidazol-2-ylsulfonyl)bicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is AZOPJAPCCBQGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c15-9(11-3-1-8(7-11)2-4-11)14-18(16,17)10-12-5-6-13-10/h5-6,8H,1-4,7H2,(H,12,13)(H,14,15).
What are the key properties of N-(1H-imidazol-2-ylsulfonyl)bicyclo[2.2.1]heptane-1-carboxamide?
N-(1H-imidazol-2-ylsulfonyl)bicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 269.33 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylsulfonyl)bicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 154869034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).