N-[1-[2-oxo-2-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethyl]indol-6-yl]-2-(trifluoromethyl)benzenesulfonamide

C31H32F3N5O3S — CID 46896453

IUPACN-[1-[2-oxo-2-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethyl]indol-6-yl]-2-(trifluoromethyl)benzenesulfonamide
SMILESO=C(Cn1ccc2ccc(NS(=O)(=O)c3ccccc3C(F)(F)F)cc21)N1CCC2(CC1)CCN(c1ccncc1)CC2
InChIInChI=1S/C31H32F3N5O3S/c32-31(33,34)26-3-1-2-4-28(26)43(41,42)36-24-6-5-23-9-16-39(27(23)21-24)22-29(40)38-19-12-30(13-20-38)10-17-37(18-11-30)25-7-14-35-15-8-25/h1-9,14-16,21,36H,10-13,17-20,22H2
InChIKeyFZXMCHZYYOMUAH-UHFFFAOYSA-N
MW611.69 g/mol
LogP5.77
Rot. Bonds6

About N-[1-[2-oxo-2-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethyl]indol-6-yl]-2-(trifluoromethyl)benzenesulfonamide

N-[1-[2-oxo-2-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethyl]indol-6-yl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 46896453) has the molecular formula C31H32F3N5O3S and a molecular weight of 611.69 g/mol. Its IUPAC name is N-[1-[2-oxo-2-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethyl]indol-6-yl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[2-oxo-2-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethyl]indol-6-yl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID46896453
Molecular FormulaC31H32F3N5O3S
Molecular Weight611.69 g/mol
Exact Mass611.22
IUPAC NameN-[1-[2-oxo-2-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethyl]indol-6-yl]-2-(trifluoromethyl)benzenesulfonamide
SMILESO=C(Cn1ccc2ccc(NS(=O)(=O)c3ccccc3C(F)(F)F)cc21)N1CCC2(CC1)CCN(c1ccncc1)CC2
InChIInChI=1S/C31H32F3N5O3S/c32-31(33,34)26-3-1-2-4-28(26)43(41,42)36-24-6-5-23-9-16-39(27(23)21-24)22-29(40)38-19-12-30(13-20-38)10-17-37(18-11-30)25-7-14-35-15-8-25/h1-9,14-16,21,36H,10-13,17-20,22H2
InChIKeyFZXMCHZYYOMUAH-UHFFFAOYSA-N
XLogP5.77
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.69
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[2-oxo-2-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethyl]indol-6-yl]-2-(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-[1-[2-oxo-2-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethyl]indol-6-yl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[1-[2-oxo-2-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethyl]indol-6-yl]-2-(trifluoromethyl)benzenesulfonamide (CID 46896453) is N-[1-[2-oxo-2-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethyl]indol-6-yl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[1-[2-oxo-2-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethyl]indol-6-yl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[1-[2-oxo-2-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethyl]indol-6-yl]-2-(trifluoromethyl)benzenesulfonamide is O=C(Cn1ccc2ccc(NS(=O)(=O)c3ccccc3C(F)(F)F)cc21)N1CCC2(CC1)CCN(c1ccncc1)CC2.
What is the InChIKey of N-[1-[2-oxo-2-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethyl]indol-6-yl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is FZXMCHZYYOMUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F3N5O3S/c32-31(33,34)26-3-1-2-4-28(26)43(41,42)36-24-6-5-23-9-16-39(27(23)21-24)22-29(40)38-19-12-30(13-20-38)10-17-37(18-11-30)25-7-14-35-15-8-25/h1-9,14-16,21,36H,10-13,17-20,22H2.
What are the key properties of N-[1-[2-oxo-2-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethyl]indol-6-yl]-2-(trifluoromethyl)benzenesulfonamide?
N-[1-[2-oxo-2-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethyl]indol-6-yl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 611.69 g/mol, XLogP of 5.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-oxo-2-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethyl]indol-6-yl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 46896453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).