benzenesulfonyl chloride;3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]bicyclo[3.2.1]octan-8-amine;N-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-bicyclo[3.2.1]octanyl]benzenesulfonamide

C56H59ClF6N4O10S2 — CID 162235966

About benzenesulfonyl chloride;3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]bicyclo[3.2.1]octan-8-amine;N-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-bicyclo[3.2.1]octanyl]benzenesulfonamide

benzenesulfonyl chloride;3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]bicyclo[3.2.1]octan-8-amine;N-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-bicyclo[3.2.1]octanyl]benzenesulfonamide (PubChem CID 162235966) has the molecular formula C56H59ClF6N4O10S2 and a molecular weight of 1161.68 g/mol. Its IUPAC name is benzenesulfonyl chloride;3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]bicyclo[3.2.1]octan-8-amine;N-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-bicyclo[3.2.1]octanyl]benzenesulfonamide.

Molecular Properties

• Compound Name: benzenesulfonyl chloride;3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]bicyclo[3.2.1]octan-8-amine;N-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-bicyclo[3.2.1]octanyl]benzenesulfonamide
• PubChem CID: 162235966
• Molecular Formula: C56H59ClF6N4O10S2
• Molecular Weight: 1161.68 g/mol
• Exact Mass: 1160.33
• IUPAC Name: benzenesulfonyl chloride;3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]bicyclo[3.2.1]octan-8-amine;N-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-bicyclo[3.2.1]octanyl]benzenesulfonamide
• SMILES: NC1C2CCC1CC(OCc1c(-c3ccccc3OC(F)(F)F)noc1C1CC1)C2.O=S(=O)(Cl)c1ccccc1.O=S(=O)(NC1C2CCC1CC(OCc1c(-c3ccccc3OC(F)(F)F)noc1C1CC1)C2)c1ccccc1
• InChI: InChI=1S/C28H29F3N2O5S.C22H25F3N2O3.C6H5ClO2S/c29-28(30,31)37-24-9-5-4-8-22(24)26-23(27(38-32-26)17-10-11-17)16-36-20-14-18-12-13-19(15-20)25(18)33-39(34,35)21-6-2-1-3-7-21;23-22(24,25)29-18-4-2-1-3-16(18)20-17(21(30-27-20)12-5-6-12)11-28-15-9-13-7-8-14(10-15)19(13)26;7-10(8,9)6-4-2-1-3-5-6/h1-9,17-20,25,33H,10-16H2;1-4,12-15,19H,5-11,26H2;1-5H
• InChIKey: ZWBFOYQOWXYFER-UHFFFAOYSA-N
• XLogP: 12.93
• TPSA: 195.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 16
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1161.68
LogP ≤ 5	12.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of benzenesulfonyl chloride;3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]bicyclo[3.2.1]octan-8-amine;N-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-bicyclo[3.2.1]octanyl]benzenesulfonamide?

The IUPAC name of benzenesulfonyl chloride;3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]bicyclo[3.2.1]octan-8-amine;N-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-bicyclo[3.2.1]octanyl]benzenesulfonamide (CID 162235966) is benzenesulfonyl chloride;3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]bicyclo[3.2.1]octan-8-amine;N-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-bicyclo[3.2.1]octanyl]benzenesulfonamide.

What is the SMILES notation for benzenesulfonyl chloride;3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]bicyclo[3.2.1]octan-8-amine;N-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-bicyclo[3.2.1]octanyl]benzenesulfonamide?

The canonical SMILES for benzenesulfonyl chloride;3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]bicyclo[3.2.1]octan-8-amine;N-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-bicyclo[3.2.1]octanyl]benzenesulfonamide is NC1C2CCC1CC(OCc1c(-c3ccccc3OC(F)(F)F)noc1C1CC1)C2.O=S(=O)(Cl)c1ccccc1.O=S(=O)(NC1C2CCC1CC(OCc1c(-c3ccccc3OC(F)(F)F)noc1C1CC1)C2)c1ccccc1.

What is the InChIKey of benzenesulfonyl chloride;3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]bicyclo[3.2.1]octan-8-amine;N-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-bicyclo[3.2.1]octanyl]benzenesulfonamide?

The InChIKey is ZWBFOYQOWXYFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F3N2O5S.C22H25F3N2O3.C6H5ClO2S/c29-28(30,31)37-24-9-5-4-8-22(24)26-23(27(38-32-26)17-10-11-17)16-36-20-14-18-12-13-19(15-20)25(18)33-39(34,35)21-6-2-1-3-7-21;23-22(24,25)29-18-4-2-1-3-16(18)20-17(21(30-27-20)12-5-6-12)11-28-15-9-13-7-8-14(10-15)19(13)26;7-10(8,9)6-4-2-1-3-5-6/h1-9,17-20,25,33H,10-16H2;1-4,12-15,19H,5-11,26H2;1-5H.

What are the key properties of benzenesulfonyl chloride;3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]bicyclo[3.2.1]octan-8-amine;N-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-bicyclo[3.2.1]octanyl]benzenesulfonamide?

benzenesulfonyl chloride;3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]bicyclo[3.2.1]octan-8-amine;N-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-bicyclo[3.2.1]octanyl]benzenesulfonamide has a molecular weight of 1161.68 g/mol, XLogP of 12.93, 16 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for benzenesulfonyl chloride;3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]bicyclo[3.2.1]octan-8-amine;N-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-bicyclo[3.2.1]octanyl]benzenesulfonamide is sourced from PubChem (CID 162235966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).