N-[(13R)-5-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]pyrrolidine-1-sulfonamide

C27H31FN4O2S — CID 58617909

IUPACN-[(13R)-5-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]pyrrolidine-1-sulfonamide
SMILESCn1nc(-c2ccc3c(c2)CC2CCC(C3)[C@H]2NS(=O)(=O)N2CCCC2)cc1-c1ccc(F)cc1
InChIInChI=1S/C27H31FN4O2S/c1-31-26(18-8-10-24(28)11-9-18)17-25(29-31)20-5-4-19-14-21-6-7-22(16-23(19)15-20)27(21)30-35(33,34)32-12-2-3-13-32/h4-5,8-11,15,17,21-22,27,30H,2-3,6-7,12-14,16H2,1H3/t21?,22?,27-/m1/s1
InChIKeyNWQINCUBFXONKE-HAPLJMJGSA-N
MW494.64 g/mol
LogP4.32
Rot. Bonds5

About N-[(13R)-5-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]pyrrolidine-1-sulfonamide

N-[(13R)-5-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]pyrrolidine-1-sulfonamide (PubChem CID 58617909) has the molecular formula C27H31FN4O2S and a molecular weight of 494.64 g/mol. Its IUPAC name is N-[(13R)-5-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(13R)-5-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]pyrrolidine-1-sulfonamide
PubChem CID58617909
Molecular FormulaC27H31FN4O2S
Molecular Weight494.64 g/mol
Exact Mass494.22
IUPAC NameN-[(13R)-5-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]pyrrolidine-1-sulfonamide
SMILESCn1nc(-c2ccc3c(c2)CC2CCC(C3)[C@H]2NS(=O)(=O)N2CCCC2)cc1-c1ccc(F)cc1
InChIInChI=1S/C27H31FN4O2S/c1-31-26(18-8-10-24(28)11-9-18)17-25(29-31)20-5-4-19-14-21-6-7-22(16-23(19)15-20)27(21)30-35(33,34)32-12-2-3-13-32/h4-5,8-11,15,17,21-22,27,30H,2-3,6-7,12-14,16H2,1H3/t21?,22?,27-/m1/s1
InChIKeyNWQINCUBFXONKE-HAPLJMJGSA-N
XLogP4.32
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(13R)-5-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]pyrrolidine-1-sulfonamide 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-[(13R)-5-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[(13R)-5-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]pyrrolidine-1-sulfonamide (CID 58617909) is N-[(13R)-5-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[(13R)-5-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[(13R)-5-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]pyrrolidine-1-sulfonamide is Cn1nc(-c2ccc3c(c2)CC2CCC(C3)[C@H]2NS(=O)(=O)N2CCCC2)cc1-c1ccc(F)cc1.
What is the InChIKey of N-[(13R)-5-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]pyrrolidine-1-sulfonamide?
The InChIKey is NWQINCUBFXONKE-HAPLJMJGSA-N. The full InChI is InChI=1S/C27H31FN4O2S/c1-31-26(18-8-10-24(28)11-9-18)17-25(29-31)20-5-4-19-14-21-6-7-22(16-23(19)15-20)27(21)30-35(33,34)32-12-2-3-13-32/h4-5,8-11,15,17,21-22,27,30H,2-3,6-7,12-14,16H2,1H3/t21?,22?,27-/m1/s1.
What are the key properties of N-[(13R)-5-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]pyrrolidine-1-sulfonamide?
N-[(13R)-5-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]pyrrolidine-1-sulfonamide has a molecular weight of 494.64 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(13R)-5-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 58617909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).