(3R)-1-(4-fluorophenyl)sulfonyl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide

C24H29FN2O4S — CID 100671166

About (3R)-1-(4-fluorophenyl)sulfonyl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide

(3R)-1-(4-fluorophenyl)sulfonyl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide (PubChem CID 100671166) has the molecular formula C24H29FN2O4S and a molecular weight of 460.57 g/mol. Its IUPAC name is (3R)-1-(4-fluorophenyl)sulfonyl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-1-(4-fluorophenyl)sulfonyl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide
• PubChem CID: 100671166
• Molecular Formula: C24H29FN2O4S
• Molecular Weight: 460.57 g/mol
• Exact Mass: 460.18
• IUPAC Name: (3R)-1-(4-fluorophenyl)sulfonyl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide
• SMILES: Cc1ccc2c(c1)[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c3ccc(F)cc3)C1)CC(C)(C)O2
• InChI: InChI=1S/C24H29FN2O4S/c1-16-6-11-22-20(13-16)21(14-24(2,3)31-22)26-23(28)17-5-4-12-27(15-17)32(29,30)19-9-7-18(25)8-10-19/h6-11,13,17,21H,4-5,12,14-15H2,1-3H3,(H,26,28)/t17-,21-/m1/s1
• InChIKey: HOXKNDXEEREAQX-DYESRHJHSA-N
• XLogP: 3.95
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.57
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-fluorophenyl)sulfonyl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide?

The IUPAC name of (3R)-1-(4-fluorophenyl)sulfonyl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide (CID 100671166) is (3R)-1-(4-fluorophenyl)sulfonyl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide.

What is the SMILES notation for (3R)-1-(4-fluorophenyl)sulfonyl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide?

The canonical SMILES for (3R)-1-(4-fluorophenyl)sulfonyl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide is Cc1ccc2c(c1)[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c3ccc(F)cc3)C1)CC(C)(C)O2.

What is the InChIKey of (3R)-1-(4-fluorophenyl)sulfonyl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide?

The InChIKey is HOXKNDXEEREAQX-DYESRHJHSA-N. The full InChI is InChI=1S/C24H29FN2O4S/c1-16-6-11-22-20(13-16)21(14-24(2,3)31-22)26-23(28)17-5-4-12-27(15-17)32(29,30)19-9-7-18(25)8-10-19/h6-11,13,17,21H,4-5,12,14-15H2,1-3H3,(H,26,28)/t17-,21-/m1/s1.

What are the key properties of (3R)-1-(4-fluorophenyl)sulfonyl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide?

(3R)-1-(4-fluorophenyl)sulfonyl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide has a molecular weight of 460.57 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-(4-fluorophenyl)sulfonyl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 100671166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).