N-[2-(thiophene-3-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzenesulfonamide

C17H18N2O3S2 — CID 156601954

IUPACN-[2-(thiophene-3-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzenesulfonamide
SMILESO=C(c1ccsc1)N1CC2CC(NS(=O)(=O)c3ccccc3)C1C2
InChIInChI=1S/C17H18N2O3S2/c20-17(13-6-7-23-11-13)19-10-12-8-15(16(19)9-12)18-24(21,22)14-4-2-1-3-5-14/h1-7,11-12,15-16,18H,8-10H2
InChIKeyPETLNFOTUZNNEP-UHFFFAOYSA-N
MW362.48 g/mol
LogP2.33
Rot. Bonds4

About N-[2-(thiophene-3-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzenesulfonamide

N-[2-(thiophene-3-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzenesulfonamide (PubChem CID 156601954) has the molecular formula C17H18N2O3S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[2-(thiophene-3-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(thiophene-3-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzenesulfonamide
PubChem CID156601954
Molecular FormulaC17H18N2O3S2
Molecular Weight362.48 g/mol
Exact Mass362.08
IUPAC NameN-[2-(thiophene-3-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzenesulfonamide
SMILESO=C(c1ccsc1)N1CC2CC(NS(=O)(=O)c3ccccc3)C1C2
InChIInChI=1S/C17H18N2O3S2/c20-17(13-6-7-23-11-13)19-10-12-8-15(16(19)9-12)18-24(21,22)14-4-2-1-3-5-14/h1-7,11-12,15-16,18H,8-10H2
InChIKeyPETLNFOTUZNNEP-UHFFFAOYSA-N
XLogP2.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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[4-(3-Fluorophenyl)sulfonylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone
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3-fluoro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(thiophene-3-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzenesulfonamide?
The IUPAC name of N-[2-(thiophene-3-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzenesulfonamide (CID 156601954) is N-[2-(thiophene-3-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzenesulfonamide.
What is the SMILES notation for N-[2-(thiophene-3-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzenesulfonamide?
The canonical SMILES for N-[2-(thiophene-3-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzenesulfonamide is O=C(c1ccsc1)N1CC2CC(NS(=O)(=O)c3ccccc3)C1C2.
What is the InChIKey of N-[2-(thiophene-3-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzenesulfonamide?
The InChIKey is PETLNFOTUZNNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S2/c20-17(13-6-7-23-11-13)19-10-12-8-15(16(19)9-12)18-24(21,22)14-4-2-1-3-5-14/h1-7,11-12,15-16,18H,8-10H2.
What are the key properties of N-[2-(thiophene-3-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzenesulfonamide?
N-[2-(thiophene-3-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzenesulfonamide has a molecular weight of 362.48 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(thiophene-3-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzenesulfonamide is sourced from PubChem (CID 156601954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).