N-[(1R,9R,13S)-10-(cyclopropylmethyl)-4-hydroxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]-3-(trifluoromethyl)benzenesulfonamide

C24H27F3N2O3S — CID 90148807

IUPACN-[(1R,9R,13S)-10-(cyclopropylmethyl)-4-hydroxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESC[C@@]12CCN(CC3CC3)[C@H](Cc3ccc(O)cc31)[C@H]2NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H27F3N2O3S/c1-23-9-10-29(14-15-5-6-15)21(11-16-7-8-18(30)13-20(16)23)22(23)28-33(31,32)19-4-2-3-17(12-19)24(25,26)27/h2-4,7-8,12-13,15,21-22,28,30H,5-6,9-11,14H2,1H3/t21-,22-,23-/m1/s1
InChIKeyUERNTVCUBWJFFV-DNVJHFABSA-N
MW480.55 g/mol
LogP4.06
Rot. Bonds5

About N-[(1R,9R,13S)-10-(cyclopropylmethyl)-4-hydroxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]-3-(trifluoromethyl)benzenesulfonamide

N-[(1R,9R,13S)-10-(cyclopropylmethyl)-4-hydroxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 90148807) has the molecular formula C24H27F3N2O3S and a molecular weight of 480.55 g/mol. Its IUPAC name is N-[(1R,9R,13S)-10-(cyclopropylmethyl)-4-hydroxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(1R,9R,13S)-10-(cyclopropylmethyl)-4-hydroxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID90148807
Molecular FormulaC24H27F3N2O3S
Molecular Weight480.55 g/mol
Exact Mass480.17
IUPAC NameN-[(1R,9R,13S)-10-(cyclopropylmethyl)-4-hydroxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESC[C@@]12CCN(CC3CC3)[C@H](Cc3ccc(O)cc31)[C@H]2NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H27F3N2O3S/c1-23-9-10-29(14-15-5-6-15)21(11-16-7-8-18(30)13-20(16)23)22(23)28-33(31,32)19-4-2-3-17(12-19)24(25,26)27/h2-4,7-8,12-13,15,21-22,28,30H,5-6,9-11,14H2,1H3/t21-,22-,23-/m1/s1
InChIKeyUERNTVCUBWJFFV-DNVJHFABSA-N
XLogP4.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1R,9R,13S)-10-(cyclopropylmethyl)-4-hydroxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]-3-(trifluoromethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R,9R,13S)-10-(cyclopropylmethyl)-4-hydroxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(1R,9R,13S)-10-(cyclopropylmethyl)-4-hydroxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]-3-(trifluoromethyl)benzenesulfonamide (CID 90148807) is N-[(1R,9R,13S)-10-(cyclopropylmethyl)-4-hydroxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(1R,9R,13S)-10-(cyclopropylmethyl)-4-hydroxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(1R,9R,13S)-10-(cyclopropylmethyl)-4-hydroxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]-3-(trifluoromethyl)benzenesulfonamide is C[C@@]12CCN(CC3CC3)[C@H](Cc3ccc(O)cc31)[C@H]2NS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(1R,9R,13S)-10-(cyclopropylmethyl)-4-hydroxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is UERNTVCUBWJFFV-DNVJHFABSA-N. The full InChI is InChI=1S/C24H27F3N2O3S/c1-23-9-10-29(14-15-5-6-15)21(11-16-7-8-18(30)13-20(16)23)22(23)28-33(31,32)19-4-2-3-17(12-19)24(25,26)27/h2-4,7-8,12-13,15,21-22,28,30H,5-6,9-11,14H2,1H3/t21-,22-,23-/m1/s1.
What are the key properties of N-[(1R,9R,13S)-10-(cyclopropylmethyl)-4-hydroxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]-3-(trifluoromethyl)benzenesulfonamide?
N-[(1R,9R,13S)-10-(cyclopropylmethyl)-4-hydroxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 480.55 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,9R,13S)-10-(cyclopropylmethyl)-4-hydroxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 90148807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).