N-[(1S)-1-[1-(2,2-dimethylpropyl)-6-[6-oxo-2-(trifluoromethyl)-1H-pyridin-3-yl]indol-3-yl]-2,2-difluoroethyl]cyclopropanesulfonamide

About N-[(1S)-1-[1-(2,2-dimethylpropyl)-6-[6-oxo-2-(trifluoromethyl)-1H-pyridin-3-yl]indol-3-yl]-2,2-difluoroethyl]cyclopropanesulfonamide

N-[(1S)-1-[1-(2,2-dimethylpropyl)-6-[6-oxo-2-(trifluoromethyl)-1H-pyridin-3-yl]indol-3-yl]-2,2-difluoroethyl]cyclopropanesulfonamide (PubChem CID 175920939) has the molecular formula C24H26F5N3O3S and a molecular weight of 531.55 g/mol. Its IUPAC name is N-[(1S)-1-[1-(2,2-dimethylpropyl)-6-[6-oxo-2-(trifluoromethyl)-1H-pyridin-3-yl]indol-3-yl]-2,2-difluoroethyl]cyclopropanesulfonamide.

Molecular Properties

Compound Name	N-[(1S)-1-[1-(2,2-dimethylpropyl)-6-[6-oxo-2-(trifluoromethyl)-1H-pyridin-3-yl]indol-3-yl]-2,2-difluoroethyl]cyclopropanesulfonamide
PubChem CID	175920939
Molecular Formula	C24H26F5N3O3S
Molecular Weight	531.55 g/mol
Exact Mass	531.16
IUPAC Name	N-[(1S)-1-[1-(2,2-dimethylpropyl)-6-[6-oxo-2-(trifluoromethyl)-1H-pyridin-3-yl]indol-3-yl]-2,2-difluoroethyl]cyclopropanesulfonamide
SMILES	CC(C)(C)Cn1cc([C@H](NS(=O)(=O)C2CC2)C(F)F)c2ccc(-c3ccc(=O)[nH]c3C(F)(F)F)cc21
InChI	InChI=1S/C24H26F5N3O3S/c1-23(2,3)12-32-11-17(20(22(25)26)31-36(34,35)14-5-6-14)16-7-4-13(10-18(16)32)15-8-9-19(33)30-21(15)24(27,28)29/h4,7-11,14,20,22,31H,5-6,12H2,1-3H3,(H,30,33)/t20-/m0/s1
InChIKey	FCSFRWUHNHDUMM-FQEVSTJZSA-N
XLogP	5.45
TPSA	83.96 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	7
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.55
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[1-(2,2-dimethylpropyl)-6-[6-oxo-2-(trifluoromethyl)-1H-pyridin-3-yl]indol-3-yl]-2,2-difluoroethyl]cyclopropanesulfonamide?

The IUPAC name of N-[(1S)-1-[1-(2,2-dimethylpropyl)-6-[6-oxo-2-(trifluoromethyl)-1H-pyridin-3-yl]indol-3-yl]-2,2-difluoroethyl]cyclopropanesulfonamide (CID 175920939) is N-[(1S)-1-[1-(2,2-dimethylpropyl)-6-[6-oxo-2-(trifluoromethyl)-1H-pyridin-3-yl]indol-3-yl]-2,2-difluoroethyl]cyclopropanesulfonamide.

What is the SMILES notation for N-[(1S)-1-[1-(2,2-dimethylpropyl)-6-[6-oxo-2-(trifluoromethyl)-1H-pyridin-3-yl]indol-3-yl]-2,2-difluoroethyl]cyclopropanesulfonamide?

The canonical SMILES for N-[(1S)-1-[1-(2,2-dimethylpropyl)-6-[6-oxo-2-(trifluoromethyl)-1H-pyridin-3-yl]indol-3-yl]-2,2-difluoroethyl]cyclopropanesulfonamide is CC(C)(C)Cn1cc([C@H](NS(=O)(=O)C2CC2)C(F)F)c2ccc(-c3ccc(=O)[nH]c3C(F)(F)F)cc21.

What is the InChIKey of N-[(1S)-1-[1-(2,2-dimethylpropyl)-6-[6-oxo-2-(trifluoromethyl)-1H-pyridin-3-yl]indol-3-yl]-2,2-difluoroethyl]cyclopropanesulfonamide?

The InChIKey is FCSFRWUHNHDUMM-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H26F5N3O3S/c1-23(2,3)12-32-11-17(20(22(25)26)31-36(34,35)14-5-6-14)16-7-4-13(10-18(16)32)15-8-9-19(33)30-21(15)24(27,28)29/h4,7-11,14,20,22,31H,5-6,12H2,1-3H3,(H,30,33)/t20-/m0/s1.

What are the key properties of N-[(1S)-1-[1-(2,2-dimethylpropyl)-6-[6-oxo-2-(trifluoromethyl)-1H-pyridin-3-yl]indol-3-yl]-2,2-difluoroethyl]cyclopropanesulfonamide?

N-[(1S)-1-[1-(2,2-dimethylpropyl)-6-[6-oxo-2-(trifluoromethyl)-1H-pyridin-3-yl]indol-3-yl]-2,2-difluoroethyl]cyclopropanesulfonamide has a molecular weight of 531.55 g/mol, XLogP of 5.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-[1-(2,2-dimethylpropyl)-6-[6-oxo-2-(trifluoromethyl)-1H-pyridin-3-yl]indol-3-yl]-2,2-difluoroethyl]cyclopropanesulfonamide is sourced from PubChem (CID 175920939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).