N-[(1R)-1-[6-(3-chloro-2-pyridinyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide

C23H28ClN3O2S — CID 170345331

IUPACN-[(1R)-1-[6-(3-chloro-2-pyridinyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide
SMILESC[C@@H](NS(=O)(=O)C1CC1)c1cn(CC(C)(C)C)c2cc(-c3ncccc3Cl)ccc12
InChIInChI=1S/C23H28ClN3O2S/c1-15(26-30(28,29)17-8-9-17)19-13-27(14-23(2,3)4)21-12-16(7-10-18(19)21)22-20(24)6-5-11-25-22/h5-7,10-13,15,17,26H,8-9,14H2,1-4H3/t15-/m1/s1
InChIKeyWEWFOTNFIRIKOM-OAHLLOKOSA-N
MW446.02 g/mol
LogP5.55
Rot. Bonds6

About N-[(1R)-1-[6-(3-chloro-2-pyridinyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide

N-[(1R)-1-[6-(3-chloro-2-pyridinyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide (PubChem CID 170345331) has the molecular formula C23H28ClN3O2S and a molecular weight of 446.02 g/mol. Its IUPAC name is N-[(1R)-1-[6-(3-chloro-2-pyridinyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-[6-(3-chloro-2-pyridinyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide
PubChem CID170345331
Molecular FormulaC23H28ClN3O2S
Molecular Weight446.02 g/mol
Exact Mass445.16
IUPAC NameN-[(1R)-1-[6-(3-chloro-2-pyridinyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide
SMILESC[C@@H](NS(=O)(=O)C1CC1)c1cn(CC(C)(C)C)c2cc(-c3ncccc3Cl)ccc12
InChIInChI=1S/C23H28ClN3O2S/c1-15(26-30(28,29)17-8-9-17)19-13-27(14-23(2,3)4)21-12-16(7-10-18(19)21)22-20(24)6-5-11-25-22/h5-7,10-13,15,17,26H,8-9,14H2,1-4H3/t15-/m1/s1
InChIKeyWEWFOTNFIRIKOM-OAHLLOKOSA-N
XLogP5.55
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.02
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-1-[6-(3-chloro-2-pyridinyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(1R)-1-[6-(2-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide
CID 170345329
N-[(1R)-1-[6-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide
CID 170345326
N-[(1R)-1-[6-bromo-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide
CID 170345210
N-[1-[6-(3-cyano-2-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfonamide
CID 168956815
N-[(1R)-1-[6-cyclopentyl-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclobutanesulfonamide
CID 170345384
N-[1-[6-(6-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfonamide
CID 168956586
N-[1-[1-(2,2-dimethylpropyl)-5-fluoro-6-(oxan-4-yl)indol-3-yl]ethyl]cyclopropanesulfonamide
CID 168956520
N-[(1S)-1-[6-(2-chlorophenyl)-1-(2-methylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide
CID 163569055
N-[(1S)-1-[6-(2-cyanophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide
CID 166911205
N-[(1S)-1-[1-(2,2-dimethylpropyl)-6-[4-fluoro-2-(trifluoromethyl)phenyl]indol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide
CID 166911156
N-[1-[6-(3-cyano-5-fluoro-2-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfonamide
CID 168956638
N-[(1S)-1-[6-(3-chloro-4-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide
CID 166911883

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[6-(3-chloro-2-pyridinyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide?
The IUPAC name of N-[(1R)-1-[6-(3-chloro-2-pyridinyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide (CID 170345331) is N-[(1R)-1-[6-(3-chloro-2-pyridinyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(1R)-1-[6-(3-chloro-2-pyridinyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide?
The canonical SMILES for N-[(1R)-1-[6-(3-chloro-2-pyridinyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide is C[C@@H](NS(=O)(=O)C1CC1)c1cn(CC(C)(C)C)c2cc(-c3ncccc3Cl)ccc12.
What is the InChIKey of N-[(1R)-1-[6-(3-chloro-2-pyridinyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide?
The InChIKey is WEWFOTNFIRIKOM-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H28ClN3O2S/c1-15(26-30(28,29)17-8-9-17)19-13-27(14-23(2,3)4)21-12-16(7-10-18(19)21)22-20(24)6-5-11-25-22/h5-7,10-13,15,17,26H,8-9,14H2,1-4H3/t15-/m1/s1.
What are the key properties of N-[(1R)-1-[6-(3-chloro-2-pyridinyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide?
N-[(1R)-1-[6-(3-chloro-2-pyridinyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide has a molecular weight of 446.02 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[6-(3-chloro-2-pyridinyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide is sourced from PubChem (CID 170345331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).