N-[1-[6-(3-chloro-4-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide

C23H24ClF4N3O2S — CID 169304610

IUPACN-[1-[6-(3-chloro-4-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide
SMILESCC(C)(C)Cn1cc(C(NS(=O)(=O)C2CC2)C(F)(F)F)c2cc(F)c(-c3ccncc3Cl)cc21
InChIInChI=1S/C23H24ClF4N3O2S/c1-22(2,3)12-31-11-17(21(23(26,27)28)30-34(32,33)13-4-5-13)16-8-19(25)15(9-20(16)31)14-6-7-29-10-18(14)24/h6-11,13,21,30H,4-5,12H2,1-3H3
InChIKeyNCOYCIIRCDCORD-UHFFFAOYSA-N
MW517.98 g/mol
LogP6.23
Rot. Bonds6

About N-[1-[6-(3-chloro-4-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide

N-[1-[6-(3-chloro-4-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide (PubChem CID 169304610) has the molecular formula C23H24ClF4N3O2S and a molecular weight of 517.98 g/mol. Its IUPAC name is N-[1-[6-(3-chloro-4-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[1-[6-(3-chloro-4-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide
PubChem CID169304610
Molecular FormulaC23H24ClF4N3O2S
Molecular Weight517.98 g/mol
Exact Mass517.12
IUPAC NameN-[1-[6-(3-chloro-4-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide
SMILESCC(C)(C)Cn1cc(C(NS(=O)(=O)C2CC2)C(F)(F)F)c2cc(F)c(-c3ccncc3Cl)cc21
InChIInChI=1S/C23H24ClF4N3O2S/c1-22(2,3)12-31-11-17(21(23(26,27)28)30-34(32,33)13-4-5-13)16-8-19(25)15(9-20(16)31)14-6-7-29-10-18(14)24/h6-11,13,21,30H,4-5,12H2,1-3H3
InChIKeyNCOYCIIRCDCORD-UHFFFAOYSA-N
XLogP6.23
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.98
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-[6-(3-chloro-4-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide
CID 166911883
N-[(1S)-1-[1-(2,2-dimethylpropyl)-5-fluoro-6-[4-fluoro-2-(fluoromethyl)phenyl]indol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide
CID 169304496
N-[1-[6-(2-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2,2-trifluoroethyl]cyclobutanesulfonamide
CID 169304510
N-[(1S)-1-[6-bromo-1-(2,2-dimethylpropyl)-5-methylindol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide
CID 170347901
N-[1-[1-(2,2-dimethylpropyl)-5-fluoro-6-(5-fluoro-3-pyridinyl)indol-3-yl]ethyl]cyclopropanesulfonamide
CID 168956690
N-[1-[1-(2,2-dimethylpropyl)-5-fluoro-6-[2-(trifluoromethyl)phenyl]indol-3-yl]-2,2-difluoroethyl]cyclopropanesulfonamide
CID 169304895
N-[(1S)-1-[1-(2,2-dimethylpropyl)-6-(trifluoromethyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclobutanesulfonamide
CID 166911996
N-[1-[1-(2,2-dimethylpropyl)-5-fluoro-6-[4-fluoro-2-(trifluoromethyl)phenyl]indol-3-yl]-2,2-difluoroethyl]cyclopropanesulfonamide
CID 169304884
N-[(1S)-1-[1-(2,2-dimethylpropyl)-6-[4-fluoro-2-(trifluoromethyl)phenyl]indol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide
CID 166911156
1-[6-(4-chloro-3-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-N-cyclopropylsulfanylethanamine
CID 170041561
N-[(1S)-1-[6-(2-cyanophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide
CID 166911205
N-[1-[6-(6-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfonamide
CID 168956586

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(3-chloro-4-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide?
The IUPAC name of N-[1-[6-(3-chloro-4-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide (CID 169304610) is N-[1-[6-(3-chloro-4-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[1-[6-(3-chloro-4-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide?
The canonical SMILES for N-[1-[6-(3-chloro-4-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide is CC(C)(C)Cn1cc(C(NS(=O)(=O)C2CC2)C(F)(F)F)c2cc(F)c(-c3ccncc3Cl)cc21.
What is the InChIKey of N-[1-[6-(3-chloro-4-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide?
The InChIKey is NCOYCIIRCDCORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF4N3O2S/c1-22(2,3)12-31-11-17(21(23(26,27)28)30-34(32,33)13-4-5-13)16-8-19(25)15(9-20(16)31)14-6-7-29-10-18(14)24/h6-11,13,21,30H,4-5,12H2,1-3H3.
What are the key properties of N-[1-[6-(3-chloro-4-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide?
N-[1-[6-(3-chloro-4-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide has a molecular weight of 517.98 g/mol, XLogP of 6.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(3-chloro-4-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide is sourced from PubChem (CID 169304610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).